 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9107956/Gau-19665.inp" -scrdir="/scratch/9107956/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19673.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer05_M11_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer05_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Polar=
 ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H(Iso=2)              0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           2           1           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   2.0141018   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           2           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.8574380   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9863730           3.8158056           3.6615706
 Leave Link  202 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 18:33:05 2022, MaxMem=  5368709120 cpu:              13.7 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 18:33:05 2022, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 18:33:06 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer05_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 18:33:06 2022, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.627180038033    
 DIIS: error= 6.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.627180038033     IErMin= 1 ErrMin= 6.30D-03
 ErrMax= 6.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-03 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.433 Goal=   None    Shift=    0.000
 GapD=    0.433 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.58D-03 MaxDP=1.32D+00              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.90D-03    CP:  8.46D-01
 E= -197.634192551023     Delta-E=       -0.007012512990 Rises=F Damp=F
 DIIS: error= 6.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.634192551023     IErMin= 2 ErrMin= 6.62D-04
 ErrMax= 6.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-05 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.62D-03
 Coeff-Com: -0.602D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.598D-01 0.106D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=5.61D-02 DE=-7.01D-03 OVMax= 3.03D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.25D-04    CP:  8.46D-01  1.12D+00
 E= -197.634322216460     Delta-E=       -0.000129665437 Rises=F Damp=F
 DIIS: error= 3.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.634322216460     IErMin= 3 ErrMin= 3.33D-04
 ErrMax= 3.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-05 BMatP= 8.13D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.33D-03
 Coeff-Com: -0.201D-01 0.248D+00 0.772D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.200D-01 0.247D+00 0.773D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=8.86D-05 MaxDP=6.60D-03 DE=-1.30D-04 OVMax= 1.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.85D-05    CP:  8.48D-01  1.12D+00  1.08D+00
 E= -197.634334716339     Delta-E=       -0.000012499879 Rises=F Damp=F
 DIIS: error= 1.47D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.634334716339     IErMin= 4 ErrMin= 1.47D-04
 ErrMax= 1.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 1.24D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.47D-03
 Coeff-Com:  0.885D-03-0.699D-01 0.260D+00 0.809D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.884D-03-0.698D-01 0.260D+00 0.809D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=4.15D-05 MaxDP=1.86D-03 DE=-1.25D-05 OVMax= 4.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.83D-05    CP:  8.48D-01  1.13D+00  1.11D+00  1.01D+00
 E= -197.634337460566     Delta-E=       -0.000002744227 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.634337460566     IErMin= 5 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-08 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Coeff:      0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=5.88D-06 MaxDP=5.85D-04 DE=-2.74D-06 OVMax= 7.84D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.86D-06    CP:  8.48D-01  1.13D+00  1.11D+00  1.06D+00  1.07D+00
 E= -197.634337501854     Delta-E=       -0.000000041288 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.634337501854     IErMin= 6 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-10 BMatP= 1.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Coeff:     -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=1.52D-04 DE=-4.13D-08 OVMax= 1.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.92D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00
 E= -197.634337502955     Delta-E=       -0.000000001101 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.634337502955     IErMin= 7 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 4.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff-Com:  0.832D+00
 Coeff:     -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff:      0.832D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=3.08D-07 MaxDP=4.84D-05 DE=-1.10D-09 OVMax= 2.00D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00  1.12D+00
 E= -197.634337503002     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.634337503002     IErMin= 8 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff-Com:  0.179D+00 0.926D+00
 Coeff:      0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff:      0.179D+00 0.926D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.89D-05 DE=-4.72D-11 OVMax= 6.07D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.36D-08    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.21D+00  1.11D+00
 E= -197.634337503014     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.634337503014     IErMin= 9 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-14 BMatP= 5.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff-Com: -0.365D-01-0.989D-01 0.113D+01
 Coeff:     -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff:     -0.365D-01-0.989D-01 0.113D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=4.06D-06 DE=-1.14D-11 OVMax= 6.00D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.98D-09    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.22D+00  1.17D+00  1.19D+00
 E= -197.634337503011     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 8.55D-10 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -197.634337503014     IErMin=10 ErrMin= 8.55D-10
 ErrMax= 8.55D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-16 BMatP= 1.50D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff-Com:  0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Coeff:      0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff:      0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.35D-09 MaxDP=3.85D-07 DE= 2.10D-12 OVMax= 6.28D-09

 SCF Done:  E(RM11) =  -197.634337503     A.U. after   10 cycles
            NFock= 10  Conv=0.23D-08     -V/T= 2.0077
 KE= 1.961274434663D+02 PE=-8.535445951766D+02 EE= 2.611885128448D+02
 Leave Link  502 at Thu Jan 27 18:34:23 2022, MaxMem=  5368709120 cpu:             614.6 elap:              77.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.12798969D+03

 Leave Link  801 at Thu Jan 27 18:34:23 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 7.70D-02 5.87D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 7.56D-03 1.59D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 8.28D-04 6.59D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.23D-05 1.09D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 1.92D-07 1.29D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.42D-09 1.53D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 6.73D-11 1.26D-06.
      9 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.05D-12 1.78D-07.
      3 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 1.11D-14 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.674779D+02
      2 -0.702391D-02  0.674824D+02
      3 -0.254835D-01 -0.263058D-01  0.674884D+02
 Isotropic polarizability for W=    0.085645       67.48 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.208344D-01 -0.122536D+00  0.744007D-01
      2   0.872632D-01 -0.197538D-01 -0.868524D-01
      3  -0.665862D-01  0.523460D-01 -0.108060D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.127720D-02  0.334495D-02  0.156571D-02
      2   0.334495D-02  0.732614D-02  0.146946D-01
      3   0.156571D-02  0.146946D-01 -0.737274D-02
 OR G Eigenvalues:    -0.0165     0.0004     0.0172  Iso=    -0.0004
 Eigenvectors:
   (1)   0.024598  -0.527855   0.848978
   (2)   0.974296  -0.177563  -0.138630
   (3)   0.223924   0.830566   0.509920
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0004 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.56D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.23D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.68D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 6.21D-03 1.74D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.94D-04 4.42D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.33D-05 7.96D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 2.62D-07 7.77D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 3.38D-09 1.12D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 2.96D-11 7.83D-07.
     25 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.37D-13 7.30D-08.
      1 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 2.28D-15 1.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   236 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674779D+02 -0.702391D-02 -0.254835D-01
      2  -0.702391D-02  0.674824D+02 -0.263058D-01
      3  -0.254835D-01 -0.263058D-01  0.674884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113670D+01  0.493407D-01  0.407659D+01  0.335880D-01  0.507476D+01
      2   0.493407D-01  0.505505D+01  0.545586D+01  0.507476D+01 -0.318282D+01
      3   0.407659D+01  0.545586D+01 -0.400068D+01  0.545152D+01 -0.147313D+01
                 6             7             8             9            10 
      1   0.545152D+01  0.407847D+01  0.543576D+01 -0.395195D+01 -0.845197D+00
      2  -0.147313D+01  0.543576D+01 -0.148852D+01  0.309200D+01 -0.570711D-01
      3   0.306269D+01 -0.395195D+01  0.309200D+01 -0.253293D+01 -0.277450D+01
                11            12            13            14            15 
      1  -0.570711D-01 -0.277450D+01  0.258881D+00 -0.480317D+01 -0.415478D+01
      2  -0.369997D+01 -0.415563D+01 -0.480317D+01  0.150261D+01  0.203416D+01
      3  -0.415563D+01  0.340617D+01 -0.415478D+01  0.203416D+01 -0.202995D+01
                16            17            18            19            20 
      1  -0.359622D+01 -0.411846D+01  0.230769D+01  0.241964D+01  0.386836D+00
      2  -0.411846D+01  0.122600D+01 -0.234883D+01  0.386836D+00 -0.403997D+01
      3   0.230769D+01 -0.234883D+01  0.336299D+01 -0.261275D+01 -0.432276D+01
                21            22            23            24            25 
      1  -0.261275D+01 -0.502058D+00 -0.317822D+01 -0.435047D+01 -0.326492D+01
      2  -0.432276D+01 -0.317822D+01  0.385931D+01  0.139028D+01 -0.435037D+01
      3   0.264379D+01 -0.435047D+01  0.139028D+01 -0.235809D+01  0.352693D+01
                26            27            28            29            30 
      1  -0.435037D+01  0.352693D+01  0.214085D+01 -0.979830D+00 -0.317889D+01
      2   0.795863D+00 -0.149325D+01 -0.979830D+00 -0.430401D+01 -0.411784D+01
      3  -0.149325D+01  0.313140D+01 -0.317889D+01 -0.411784D+01  0.287149D+01
                31            32            33            34            35 
      1   0.252574D+00 -0.368851D+01 -0.413764D+01 -0.278226D+01 -0.410092D+01
      2  -0.368851D+01  0.686213D+00  0.107201D+01 -0.410092D+01  0.148923D+01
      3  -0.413764D+01  0.107201D+01 -0.225164D+01  0.352084D+01 -0.348708D+01
                36            37            38            39            40 
      1   0.352084D+01 -0.405015D+00  0.562787D+00 -0.399301D+01 -0.521062D-01
      2  -0.348708D+01  0.562787D+00 -0.351427D+01 -0.419373D+01 -0.402957D+01
      3   0.893016D+00 -0.399301D+01 -0.419373D+01  0.336505D+01 -0.420945D+01
                41            42            43            44            45 
      1  -0.402957D+01 -0.420945D+01 -0.280156D+01 -0.419447D+01  0.282584D+01
      2   0.354506D+01  0.104833D+00 -0.419447D+01  0.133370D+01 -0.218602D+01
      3   0.104833D+00 -0.275144D+01  0.282584D+01 -0.218602D+01  0.167739D+00
                46            47            48            49            50 
      1  -0.705973D+00  0.504910D+00 -0.735909D+00  0.683274D+00  0.293320D+00
      2   0.504910D+00 -0.479360D+00  0.104132D+01  0.293320D+00  0.196231D+01
      3  -0.735909D+00  0.104132D+01 -0.218252D+01  0.389741D+00 -0.222016D+01
                51            52            53            54            55 
      1   0.389741D+00 -0.101457D+01  0.442356D+00 -0.373506D+00  0.343471D+01
      2  -0.222016D+01  0.442356D+00 -0.210021D+01  0.264801D+01 -0.193130D+01
      3   0.282154D+01 -0.373506D+00  0.264801D+01 -0.734197D+01 -0.108123D+01
                56            57            58            59            60 
      1  -0.193130D+01 -0.108123D+01 -0.321871D+01  0.294015D+01  0.179017D+01
      2   0.218360D+01  0.108899D+01  0.294015D+01 -0.465584D+01 -0.179187D+01
      3   0.108899D+01  0.858177D+00  0.179017D+01 -0.179187D+01 -0.187853D+01
                61            62            63            64            65 
      1  -0.720267D+00  0.102983D+01  0.993972D+00  0.527620D+01  0.250968D+01
      2   0.102983D+01 -0.117684D+01 -0.981140D+00  0.250968D+01  0.248009D+01
      3   0.993972D+00 -0.981140D+00 -0.183035D+01  0.899925D+00  0.763648D+00
                66            67            68            69            70 
      1   0.899925D+00  0.306901D+01  0.296286D+01  0.709356D+00  0.241065D+01
      2   0.763648D+00  0.296286D+01  0.325738D+01  0.404430D+00  0.140311D+01
      3   0.825251D+00  0.709356D+00  0.404430D+00  0.121229D+01  0.877823D+00
                71            72            73            74            75 
      1   0.140311D+01  0.877823D+00 -0.248434D+01  0.310513D+00 -0.174441D+01
      2   0.123698D+01  0.105745D+01  0.310513D+00 -0.269381D+00  0.690772D+00
      3   0.105745D+01  0.919344D+00 -0.174441D+01  0.690772D+00 -0.230702D+01
                76            77            78            79            80 
      1   0.128135D+01 -0.384088D+00  0.137529D+01 -0.215928D+01  0.626950D+00
      2  -0.384088D+00  0.817566D+00 -0.129729D+01  0.626950D+00 -0.145742D+01
      3   0.137529D+01 -0.129729D+01  0.233575D+01 -0.299562D+01  0.928405D+00
                81            82            83            84            85 
      1  -0.299562D+01 -0.638977D+01 -0.199012D+01  0.197314D+01 -0.126786D+01
      2   0.928405D+00 -0.199012D+01 -0.138624D+01  0.879026D+00 -0.116367D+01
      3  -0.663751D+01  0.197314D+01  0.879026D+00 -0.193063D+01  0.823711D+00
                86            87            88            89            90 
      1  -0.116367D+01  0.823711D+00  0.349082D+01  0.153231D+01 -0.217430D+01
      2  -0.167667D+01  0.487801D+00  0.153231D+01  0.131955D+01 -0.654781D+00
      3   0.487801D+00 -0.327045D+00 -0.217430D+01 -0.654781D+00  0.195360D+01
                91            92            93            94            95 
      1   0.104207D+01 -0.136056D+01 -0.251035D+00 -0.142306D+01  0.119953D+01
      2  -0.136056D+01  0.295388D+01  0.119582D+01  0.119953D+01 -0.772629D+01
      3  -0.251035D+00  0.119582D+01  0.733434D+00  0.588371D+00 -0.224387D+01
                96            97            98            99           100 
      1   0.588371D+00 -0.166950D+00  0.622083D+00 -0.210527D-02 -0.215916D+01
      2  -0.224387D+01  0.622083D+00 -0.177538D+01 -0.146335D+01  0.150020D+01
      3  -0.158377D+01 -0.210527D-02 -0.146335D+01 -0.162344D+01 -0.103420D+01
               101           102           103           104           105 
      1   0.150020D+01 -0.103420D+01  0.112216D+01 -0.106792D+01  0.110452D+01
      2  -0.107762D+01  0.118817D+01 -0.106792D+01  0.325137D+01 -0.186482D+01
      3   0.118817D+01 -0.157564D+01  0.110452D+01 -0.186482D+01  0.186488D+01
               106           107           108           109           110 
      1  -0.183937D+01  0.182356D+01 -0.197778D+01  0.219874D+01  0.187561D+01
      2   0.182356D+01 -0.336344D+01  0.266032D+01  0.187561D+01  0.351755D+01
      3  -0.197778D+01  0.266032D+01 -0.423857D+01  0.137843D+01  0.163104D+01
               111           112           113           114           115 
      1   0.137843D+01  0.144927D+01  0.184832D+01  0.102240D+01  0.127291D+01
      2   0.163104D+01  0.184832D+01  0.508915D+01  0.188552D+01  0.105119D+01
      3   0.132021D+01  0.102240D+01  0.188552D+01  0.180104D+01  0.624104D+00
               116           117           118           119           120 
      1   0.105119D+01  0.624104D+00 -0.571863D+01  0.624299D+00  0.307231D+01
      2   0.222186D+01  0.220093D+01  0.624299D+00 -0.931535D+00  0.460432D-01
      3   0.220093D+01  0.215846D+01  0.307231D+01  0.460432D-01 -0.281890D+01
               121           122           123           124           125 
      1  -0.833795D+00 -0.450212D+00  0.748536D+00  0.327615D+01 -0.271006D-01
      2  -0.450212D+00 -0.251114D+00  0.511977D+00 -0.271006D-01  0.950820D+00
      3   0.748536D+00  0.511977D+00 -0.388650D+00 -0.292461D+01  0.651160D+00
               126           127           128           129           130 
      1  -0.292461D+01  0.257026D+01 -0.228048D+01  0.529638D+00 -0.237779D+01
      2   0.651160D+00 -0.228048D+01  0.295450D+01  0.170161D+00  0.309522D+01
      3   0.345678D+01  0.529638D+00  0.170161D+00  0.500730D+00  0.140626D+00
               131           132           133           134           135 
      1   0.309522D+01  0.140626D+00 -0.389179D+00  0.837281D+00  0.250139D+00
      2  -0.696529D+01  0.365183D+00  0.837281D+00 -0.126306D+01 -0.651153D+00
      3   0.365183D+00 -0.117077D+01  0.250139D+00 -0.651153D+00 -0.361711D+00
               136           137           138           139           140 
      1  -0.329291D+01 -0.100291D+01  0.273617D+01 -0.676313D+00 -0.481546D+00
      2  -0.100291D+01 -0.117550D+01  0.150880D+01 -0.481546D+00 -0.143672D+01
      3   0.273617D+01  0.150880D+01 -0.399403D+01  0.909817D+00  0.125221D+01
               141           142           143           144           145 
      1   0.909817D+00  0.214312D+01  0.944664D+00 -0.232420D+01  0.405524D+01
      2   0.125221D+01  0.944664D+00  0.111012D+01 -0.122405D+01  0.127811D+01
      3  -0.931218D+00 -0.232420D+01 -0.122405D+01  0.513208D+01  0.273973D+01
               146           147           148           149           150 
      1   0.127811D+01  0.273973D+01  0.220158D+01  0.183274D+01  0.179827D+01
      2   0.173319D+01  0.113031D+01  0.183274D+01  0.192377D+01  0.138271D+01
      3   0.113031D+01  0.228510D+01  0.179827D+01  0.138271D+01  0.257291D+01
               151           152           153 
      1   0.206244D+01  0.104221D+01  0.179675D+01
      2   0.104221D+01  0.940769D+00  0.125137D+01
      3   0.179675D+01  0.125137D+01  0.339107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.862957D-02  0.869164D-02  0.851127D-02  0.130803D-01 -0.151534D-01
      2   0.194066D-01  0.995288D-02  0.499850D+01 -0.129379D-01 -0.296002D-01
      3  -0.129522D-02 -0.502296D+01  0.219433D-02  0.500252D+01  0.249329D-02
                 6             7             8             9            10 
      1  -0.500999D+01  0.486991D-02  0.499928D+01 -0.376840D-01  0.109140D+01
      2  -0.334359D-02 -0.499986D+01 -0.931856D-02  0.169660D-01 -0.690566D+01
      3   0.198946D-01  0.477542D-02  0.208956D-01  0.912084D-02 -0.988146D+00
                11            12            13            14            15 
      1   0.665303D+01  0.367189D+01  0.830699D+01 -0.186300D+01 -0.434552D+01
      2  -0.607865D+01  0.341594D+01 -0.564529D+01 -0.262779D+01 -0.776115D+01
      3   0.413692D+01  0.499265D+01  0.100977D+02 -0.314473D+01 -0.569240D+01
                16            17            18            19            20 
      1   0.424608D+01  0.712527D+00  0.793134D+00 -0.326661D+01 -0.202524D+01
      2  -0.357431D+01 -0.834050D+01  0.935148D+01  0.644679D+01  0.622492D+01
      3   0.451804D+01 -0.414262D+01  0.409775D+01 -0.404905D+01 -0.730534D+01
                21            22            23            24            25 
      1   0.727547D+01 -0.308336D+01 -0.291794D+01 -0.544714D+01  0.871180D+01
      2  -0.364347D+01  0.520696D+01 -0.427477D+01 -0.157914D+01 -0.951113D+01
      3  -0.295325D+01 -0.903455D+00  0.991710D+01  0.736093D+01 -0.193507D+01
                26            27            28            29            30 
      1   0.167102D+00  0.604104D+01  0.442270D+01  0.459989D+01 -0.711014D+01
      2  -0.300309D+01 -0.208226D+01  0.118336D+01  0.461157D+01  0.575760D+00
      3   0.632889D+01 -0.571260D+01  0.429245D+01 -0.856434D+01 -0.902664D+01
                31            32            33            34            35 
      1   0.500758D+01 -0.235453D+01  0.326796D+01 -0.840816D+01  0.979436D+01
      2   0.381287D+01  0.739172D+00  0.458115D+01 -0.409053D+01  0.594850D+01
      3  -0.154913D+01 -0.692821D+01 -0.575093D+01 -0.820893D+01 -0.524265D+01
                36            37            38            39            40 
      1  -0.190110D+01 -0.237672D+01 -0.909518D+01 -0.388029D+01 -0.103040D+02
      2  -0.183762D+01 -0.641988D+00 -0.458985D+01  0.117199D+02 -0.333563D+01
      3   0.243623D+01  0.700344D+00 -0.363557D+00  0.696358D+01  0.453238D+01
                41            42            43            44            45 
      1   0.705210D+01 -0.542147D+01 -0.440735D+01  0.136287D+01 -0.482336D+01
      2   0.610001D+01  0.478898D+01  0.503044D+01  0.525499D+01 -0.554978D+01
      3   0.227276D+00  0.421399D+01  0.566234D+01  0.302411D+01 -0.833249D+00
                46            47            48            49            50 
      1  -0.322653D+00  0.756871D+00  0.187802D-01 -0.487700D+00 -0.229730D+01
      2  -0.270083D+01  0.184362D+01 -0.246173D+01  0.273629D+01 -0.251959D+01
      3  -0.141570D+01 -0.103591D+00 -0.152295D+01  0.141439D+01 -0.210826D+01
                51            52            53            54            55 
      1   0.319408D-01 -0.505929D+00  0.413386D+01  0.722518D+00  0.263083D+01
      2   0.445384D+01 -0.512933D+01  0.445059D+01 -0.101122D+02  0.271631D+01
      3   0.298220D+01 -0.232116D+01  0.291582D+01 -0.395702D+01  0.277391D+01
                56            57            58            59            60 
      1  -0.383794D+01 -0.746043D+00 -0.365945D+01  0.696510D+01  0.124396D+00
      2  -0.642549D+00  0.160134D+01 -0.186804D+01  0.937475D+00 -0.180203D+01
      3  -0.580977D+01 -0.197212D+01 -0.262842D+01  0.909944D+01  0.273145D+01
                61            62            63            64            65 
      1  -0.162490D+01  0.296842D+01  0.991443D+00 -0.326079D+01 -0.292213D+01
      2  -0.734321D+00  0.538340D-01 -0.172922D+01  0.646682D+01  0.419736D+01
      3  -0.148498D+01  0.282208D+01  0.159060D+01 -0.359248D+00 -0.475080D+01
                66            67            68            69            70 
      1  -0.255751D+01 -0.337977D+01 -0.315923D+01 -0.303459D+01 -0.171169D+01
      2   0.471014D+01  0.414678D+01  0.391358D+01  0.421769D+01  0.231744D+01
      3  -0.951786D+00 -0.105124D+01 -0.439869D+01 -0.509430D+00 -0.234722D+00
                71            72            73            74            75 
      1  -0.767974D+00 -0.230834D+01 -0.207675D+01  0.209524D+01 -0.334394D+01
      2   0.293338D+01  0.324073D+01 -0.977844D+00 -0.766240D+00  0.286614D+01
      3  -0.192683D+01 -0.122891D+01  0.252702D+01 -0.209828D+01  0.282149D+01
                76            77            78            79            80 
      1   0.149013D+01 -0.306954D+01  0.250789D+01 -0.373106D+01  0.555001D+01
      2   0.405090D+00  0.131785D+01 -0.201252D+01 -0.955932D+00 -0.891497D+00
      3  -0.474443D+00  0.194481D+01 -0.280306D+01  0.262666D+01 -0.388581D+01
                81            82            83            84            85 
      1  -0.759753D+01  0.397529D+01  0.117954D+01 -0.400615D+01  0.187626D+01
      2   0.620225D+01 -0.655230D+01 -0.253929D+01  0.704009D+01 -0.209932D+01
      3   0.463318D+01  0.532281D+01 -0.194494D+01 -0.142766D+01  0.140700D+01
                86            87            88            89            90 
      1   0.132564D+01 -0.184834D+01 -0.340572D+01 -0.296524D-01  0.334425D+01
      2  -0.133028D+01  0.179238D+01  0.376591D+01  0.160774D+01 -0.553724D+01
      3  -0.124941D+01 -0.563877D+00 -0.251877D+01  0.116866D+01  0.181344D+01
                91            92            93            94            95 
      1   0.958691D+00 -0.139092D+01  0.817336D+00 -0.508569D+00  0.455547D+01
      2   0.161786D+01 -0.230228D+01  0.201423D+00 -0.298340D+01  0.378067D+01
      3  -0.395034D+01  0.361394D+01  0.134680D+01  0.667283D+01 -0.975496D+01
                96            97            98            99           100 
      1  -0.275294D+01 -0.670749D+00  0.112215D+01 -0.128488D+01  0.210408D+01
      2   0.174064D+01 -0.124553D+01  0.207813D+01  0.140036D+01  0.913838D+00
      3  -0.326474D+01  0.173141D+01 -0.294826D+01 -0.142975D+01 -0.246138D+01
               101           102           103           104           105 
      1  -0.188011D+01  0.406528D+01 -0.240622D+01  0.326082D+01 -0.579482D+01
      2  -0.164597D+01  0.328075D+01 -0.771914D+00  0.214292D+01 -0.302199D+01
      3  -0.317388D-01 -0.436881D+00  0.242826D+01  0.159217D+01  0.278396D+00
               106           107           108           109           110 
      1   0.362495D+01 -0.291429D+01  0.924668D+01 -0.138053D+01 -0.891402D-01
      2   0.277643D+00 -0.278495D+01  0.558424D+01 -0.307077D+01 -0.209992D+01
      3  -0.239641D+01 -0.934439D+00 -0.836259D+00  0.646568D+01  0.380011D+01
               111           112           113           114           115 
      1  -0.238855D+01 -0.936508D+00  0.215684D+00 -0.406056D+01 -0.520339D+00
      2  -0.298192D+00 -0.264385D+01 -0.252322D+01 -0.135565D+01 -0.264896D+01
      3   0.347110D+01  0.642103D+01  0.616054D+01  0.344807D+01  0.429024D+01
               116           117           118           119           120 
      1  -0.828541D+00 -0.305255D+01 -0.458677D+01 -0.214595D+01  0.471094D+01
      2  -0.209458D+01 -0.127055D+01  0.120317D+01 -0.438516D+00  0.343136D+01
      3   0.304217D+01  0.264666D+01 -0.808711D+01 -0.281759D+01  0.500743D+01
               121           122           123           124           125 
      1  -0.111717D+01 -0.119912D+01 -0.903370D-01  0.444677D+01  0.169965D+01
      2  -0.122431D-01 -0.256191D+00  0.213467D+00 -0.796356D+00 -0.514710D+00
      3  -0.527576D+00 -0.129381D+01  0.137531D+01  0.536360D+01  0.250770D+01
               126           127           128           129           130 
      1  -0.473931D+01 -0.281886D+01  0.493970D+01  0.206838D+01  0.490359D+01
      2  -0.281633D+01 -0.309078D+01  0.344080D+01  0.123730D+01  0.374719D+01
      3  -0.395051D+01 -0.165876D+01 -0.160733D+01 -0.650399D+00  0.256675D+01
               131           132           133           134           135 
      1  -0.100142D+02 -0.387199D+01  0.117185D+01 -0.126606D+01 -0.176839D+01
      2  -0.461896D+01 -0.248980D+01 -0.248822D+00 -0.142189D+01 -0.928275D+00
      3   0.311398D+01 -0.300691D+00  0.122909D+00  0.357893D+00  0.247595D+00
               136           137           138           139           140 
      1   0.766567D+00 -0.190265D+01 -0.143212D+01  0.226882D+00 -0.153700D+01
      2   0.843243D+01  0.216438D+01 -0.435071D+01  0.232701D+01  0.124429D+01
      3   0.399582D+01 -0.476380D+00 -0.292742D+01  0.188042D+01  0.695564D+00
               141           142           143           144           145 
      1  -0.137911D+00 -0.458959D+00  0.275240D+01  0.269618D+01  0.414877D+01
      2  -0.187333D+01 -0.747023D+01 -0.227369D+01  0.563478D+01 -0.507677D+01
      3  -0.145308D+01 -0.320374D+01 -0.500489D+00  0.274059D+01 -0.309863D+01
               146           147           148           149           150 
      1   0.505631D+01  0.282815D+01  0.407520D+01  0.506909D+01  0.214044D+01
      2  -0.140623D+01 -0.581553D+00 -0.300956D+01 -0.199556D+01  0.110796D+00
      3  -0.439488D+01 -0.271799D+01 -0.155679D+01 -0.388434D+01 -0.208945D+01
               151           152           153 
      1   0.323017D+01  0.428441D+01  0.365974D+01
      2  -0.371830D+01 -0.983902D+00  0.450115D+00
      3  -0.201618D+01 -0.260713D+01 -0.226687D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378435D+01 -0.295030D+01  0.270980D+01 -0.296493D+01 -0.155343D+01
      2  -0.144691D+01  0.313576D+01 -0.124076D+01  0.320149D+01  0.116397D+01
      3  -0.233745D+01 -0.185455D+00 -0.146904D+01 -0.236563D+00  0.389456D+00
      4  -0.294905D+01 -0.263294D+01 -0.779710D+00 -0.266854D+01  0.316688D+01
      5   0.264159D+01 -0.772477D+00 -0.356970D+01 -0.835597D+00 -0.118996D+01
      6  -0.793560D+00 -0.128828D+01 -0.203782D+00 -0.120998D+01 -0.366027D+01
                 6             7             8             9            10 
      1  -0.792957D+00  0.265469D+01 -0.825828D+00 -0.236136D+01 -0.638897D+01
      2  -0.360614D+01 -0.123240D+01 -0.362067D+01  0.302524D+00 -0.386402D+01
      3   0.439910D+01 -0.142230D+01  0.444649D+01  0.205883D+01  0.102530D+02
      4  -0.121039D+01 -0.816492D+00 -0.128233D+01 -0.212575D+00 -0.160734D+01
      5  -0.315719D+00 -0.347278D+01 -0.225296D+00 -0.147912D+01 -0.610544D+01
      6  -0.747128D+00 -0.199124D+00 -0.765137D+00  0.447313D+01 -0.453970D+01
                11            12            13            14            15 
      1  -0.471224D+01 -0.213133D+01 -0.471422D+01 -0.881995D+01 -0.152553D+02
      2  -0.665735D+01  0.377259D+01 -0.560318D+01  0.532564D+01  0.170671D+01
      3   0.113696D+02 -0.164126D+01  0.103174D+02  0.349431D+01  0.135486D+02
      4  -0.135456D+02 -0.107458D+02 -0.148333D+02  0.254966D+01  0.190221D+01
      5  -0.932702D+01  0.637180D+01 -0.103598D+02  0.731024D+01  0.322045D+01
      6   0.440899D+01  0.943959D+01  0.521668D+01 -0.410964D+01 -0.765248D+01
                16            17            18            19            20 
      1  -0.282278D+01 -0.154685D+02  0.146532D+02 -0.933902D+01 -0.984889D+01
      2   0.311296D+01  0.244414D+01 -0.138391D+01  0.272100D+01  0.684661D+01
      3  -0.290175D+00  0.130244D+02 -0.132693D+02  0.661802D+01  0.300228D+01
      4  -0.119185D+02  0.734891D+00 -0.119340D+01 -0.443500D+01  0.139250D+01
      5   0.644959D+01  0.242100D+01 -0.109924D+01  0.552941D+01  0.760633D+01
      6   0.750587D+01 -0.768414D+01  0.859351D+01  0.686346D+01  0.115845D+02
                21            22            23            24            25 
      1   0.577903D+01 -0.972403D+01  0.149335D+02  0.991579D+01  0.666777D+01
      2   0.946234D+01  0.531221D+01 -0.152954D+02 -0.120632D+02  0.840290D+01
      3  -0.152414D+02  0.441182D+01  0.361815D+00  0.214738D+01 -0.150707D+02
      4   0.116179D+02  0.256310D+01  0.354875D+01  0.503601D+01  0.127504D+02
      5  -0.651818D+01  0.798106D+01  0.428066D+01  0.882564D+01 -0.782828D+01
      6   0.239912D+00  0.103425D+02 -0.820231D+01 -0.190320D+01  0.186176D+00
                26            27            28            29            30 
      1   0.107344D+02 -0.561560D+01 -0.338364D+01  0.750390D+01  0.117974D+02
      2  -0.120587D+02  0.122728D+02  0.520540D+01 -0.963469D+01 -0.180964D+02
      3   0.132437D+01 -0.665722D+01 -0.182177D+01  0.213079D+01  0.629903D+01
      4   0.525340D+01  0.653099D+00  0.239805D+01 -0.111218D+01 -0.245321D+01
      5   0.731173D+01 -0.981613D+01  0.713433D+01  0.305104D+01 -0.113428D+02
      6  -0.113248D+01  0.122067D+01 -0.593357D+01 -0.142961D+02  0.468808D+01
                31            32            33            34            35 
      1   0.733173D+01  0.593407D+01  0.639049D+01  0.122300D+02  0.518181D+01
      2  -0.894196D+01 -0.289751D+01 -0.518927D+00 -0.178124D+02 -0.173264D+00
      3   0.161023D+01 -0.303656D+01 -0.587157D+01  0.558233D+01 -0.500855D+01
      4  -0.154459D+00 -0.110090D+02 -0.121908D+02 -0.160652D+01 -0.131539D+02
      5   0.504004D+01 -0.725140D+01  0.839502D+00 -0.114826D+02  0.250594D+01
      6  -0.131301D+02  0.222256D+01 -0.955806D+01  0.548478D+01 -0.105777D+02
                36            37            38            39            40 
      1  -0.208642D+01  0.307085D+01  0.179101D+01 -0.108482D+02  0.198065D+01
      2  -0.301773D+01  0.439794D+01  0.149487D+02  0.283564D+01  0.146243D+02
      3   0.510415D+01 -0.746879D+01 -0.167397D+02  0.801258D+01 -0.166049D+02
      4   0.872208D+01 -0.149790D+01 -0.834423D+01  0.570207D-01 -0.894003D+01
      5   0.169976D+00 -0.233570D+01 -0.288695D+01 -0.112662D+02 -0.404980D+01
      6   0.301607D+01  0.190590D+01 -0.385186D+01 -0.144347D+02 -0.442925D+01
                41            42            43            44            45 
      1  -0.326904D+01 -0.250910D+01 -0.115510D+02 -0.175741D+01  0.422699D+00
      2  -0.786680D+01  0.423565D+01  0.440610D+01  0.323774D+01  0.392574D+01
      3   0.111358D+02 -0.172655D+01  0.714491D+01 -0.148032D+01 -0.434844D+01
      4   0.101295D+02  0.321846D+01 -0.555489D+00  0.535191D+01 -0.853789D+01
      5  -0.649936D+01 -0.132160D+02 -0.971347D+01 -0.122966D+02  0.816690D+01
      6   0.350877D+01  0.844010D+00 -0.133645D+02  0.105140D+01 -0.515172D+01
                46            47            48            49            50 
      1  -0.180016D+01  0.342740D+01 -0.587309D+01  0.286466D+01 -0.638891D+01
      2  -0.550129D+00 -0.996463D+00 -0.147003D+01 -0.834476D+00  0.249366D+01
      3   0.235029D+01 -0.243094D+01  0.734312D+01 -0.203018D+01  0.389526D+01
      4  -0.735161D+00  0.241686D+01 -0.224312D+00  0.380492D+01  0.244229D+01
      5   0.293117D+01 -0.812711D+00  0.319430D+01 -0.164252D+01 -0.299378D+01
      6  -0.213506D+01  0.290595D+01 -0.395790D+01  0.184601D+00 -0.927219D+01
                51            52            53            54            55 
      1   0.998803D+01 -0.429183D+01  0.975973D+01 -0.210499D+02  0.136249D+02
      2   0.678535D-01  0.117263D+01 -0.296662D+00 -0.106549D+02 -0.775162D+01
      3  -0.100559D+02  0.311920D+01 -0.946307D+01  0.317048D+02 -0.587330D+01
      4  -0.306834D+01 -0.662323D+00 -0.345421D+01  0.394904D+01 -0.862176D+01
      5   0.376056D+01  0.557216D+01  0.324344D+01 -0.954934D+01 -0.101802D+02
      6   0.122562D+02 -0.134822D+01  0.121176D+02 -0.163466D+02  0.517497D+01
                56            57            58            59            60 
      1  -0.620907D+01 -0.318787D+01 -0.891694D+01  0.327002D+01  0.162028D+01
      2   0.480519D+01  0.401656D+01  0.601759D+01  0.668621D+00 -0.399021D+01
      3   0.140388D+01 -0.828697D+00  0.289935D+01 -0.393864D+01  0.236993D+01
      4   0.110005D+02  0.434815D+01  0.126478D+02 -0.162486D+02 -0.524977D+01
      5   0.713404D+01  0.732005D+01  0.103417D+02 -0.807339D+01 -0.889552D+01
      6  -0.558002D+01 -0.378834D+01 -0.663310D+01  0.124876D+02  0.775958D+01
                61            62            63            64            65 
      1  -0.206762D+01  0.190321D+01 -0.112380D+01  0.236477D+02  0.964652D+01
      2   0.374981D+01 -0.302092D+01 -0.392266D+01 -0.647998D+01  0.102806D+01
      3  -0.168219D+01  0.111771D+01  0.504646D+01 -0.171677D+02 -0.106746D+02
      4   0.399767D+01 -0.384437D+01 -0.376695D+01  0.159077D+02  0.140609D+02
      5   0.707428D+01 -0.575682D+01 -0.702959D+01 -0.180553D+01 -0.474705D-01
      6  -0.399274D+01  0.677417D+01  0.336835D+01 -0.168956D+01 -0.279813D+01
                66            67            68            69            70 
      1   0.425347D+01  0.109248D+02  0.546781D+01  0.320135D+01  0.811893D+01
      2  -0.203078D+00  0.784319D+00  0.599869D+01  0.176675D+01 -0.201944D+01
      3  -0.405039D+01 -0.117091D+02 -0.114665D+02 -0.496810D+01 -0.609949D+01
      4   0.353789D+01  0.154750D+02  0.145514D+02  0.238743D+01  0.617655D+01
      5   0.471710D+01 -0.706675D+00 -0.106771D+01  0.369383D+01  0.365917D+01
      6   0.381365D+00 -0.274780D+01 -0.196779D+01  0.342028D+01  0.566628D+00
                71            72            73            74            75 
      1   0.337274D+01  0.156029D+01  0.759956D+01 -0.547664D+00  0.349356D+01
      2   0.222665D+01 -0.188341D+00 -0.853507D+01  0.168527D+01 -0.931286D+01
      3  -0.559939D+01 -0.137195D+01  0.935504D+00 -0.113761D+01  0.581930D+01
      4   0.532483D+01  0.389736D+01  0.142446D+01  0.300618D+01 -0.604041D+00
      5   0.272376D+01  0.461112D+01  0.104256D+02 -0.290013D+01  0.133317D+02
      6   0.241919D+01  0.113288D+01  0.408005D+00  0.248593D+00  0.211422D+01
                76            77            78            79            80 
      1  -0.244830D+01 -0.158752D+01 -0.517136D+00  0.382031D+01 -0.174720D+01
      2   0.338341D+01 -0.990299D+00  0.723351D+01 -0.104251D+02  0.597959D+01
      3  -0.935115D+00  0.257782D+01 -0.671637D+01  0.660477D+01 -0.423239D+01
      4   0.221719D+01 -0.371783D+01  0.286606D+01  0.138310D+00  0.382846D+01
      5  -0.569501D+01  0.341191D+01 -0.683001D+01  0.149735D+02 -0.343671D+01
      6   0.527093D+00 -0.248717D+01  0.361683D+01  0.225168D+01  0.499418D+01
                81            82            83            84            85 
      1  -0.326187D+01  0.270802D+02  0.609373D+01 -0.817783D+01  0.465345D+01
      2  -0.198338D+02 -0.828377D+01  0.126663D+01  0.733483D+00  0.165746D+01
      3   0.230957D+02 -0.187965D+02 -0.736036D+01  0.744434D+01 -0.631090D+01
      4  -0.121166D+00  0.179317D+02  0.110284D+02 -0.606319D+01  0.962325D+01
      5   0.218486D+02 -0.417428D+01 -0.148910D+01  0.761191D+01 -0.135162D+01
      6   0.441427D+01 -0.406380D+01 -0.216240D+01  0.462545D+01 -0.251848D+01
                86            87            88            89            90 
      1   0.102099D+01 -0.200586D+01 -0.117483D+02 -0.215582D+01  0.527594D+01
      2   0.445343D+01 -0.184210D+00  0.245124D+01 -0.158625D+01 -0.327376D+01
      3  -0.547442D+01  0.219007D+01  0.929707D+01  0.374207D+01 -0.200218D+01
      4   0.689592D+01 -0.409808D+01 -0.930833D+01 -0.700386D+01  0.479002D+01
      5  -0.184015D+01  0.549173D+00  0.752766D+01  0.148958D+01 -0.690539D+01
      6  -0.389397D+00  0.323611D+01  0.445807D+01  0.319794D+01 -0.589040D+01
                91            92            93            94            95 
      1  -0.206770D+01  0.839369D+01  0.243759D+01  0.655597D+01 -0.231233D+02
      2   0.404659D+01 -0.103178D+02 -0.203259D+01 -0.607216D+01  0.336364D+02
      3  -0.197889D+01  0.192410D+01 -0.404997D+00 -0.483817D+00 -0.105131D+02
      4  -0.384695D+01  0.425716D+01  0.222941D+00  0.569276D+01  0.441185D+01
      5  -0.316025D+01  0.185972D+01  0.217904D+01  0.240701D+01 -0.338270D+00
      6   0.243338D+01 -0.625020D+01 -0.450595D+01 -0.327307D+01  0.184755D+02
                96            97            98            99           100 
      1  -0.833661D+01  0.118074D+01 -0.767121D+01 -0.514851D+01  0.469369D+01
      2   0.744957D+01 -0.174899D+01  0.655564D+01  0.223162D+01  0.450388D+00
      3   0.887035D+00  0.568247D+00  0.111557D+01  0.291689D+01 -0.514408D+01
      4   0.116319D+01 -0.977363D-02  0.105390D+01  0.428496D+00 -0.905936D+01
      5   0.332499D+00  0.302554D+01 -0.198756D+00  0.149027D+01  0.363465D+01
      6   0.114555D+02 -0.188556D+01  0.106010D+02  0.707080D+01 -0.378591D+01
               101           102           103           104           105 
      1  -0.171204D+01  0.105939D+01 -0.107777D+01 -0.577615D+01  0.167710D+01
      2  -0.329711D+01  0.275138D+01 -0.365368D+01  0.142663D+02 -0.679338D+01
      3   0.500915D+01 -0.381077D+01  0.473145D+01 -0.849016D+01  0.511629D+01
      4   0.895973D+01 -0.562924D+01  0.810683D+01 -0.945260D+01  0.713302D+01
      5  -0.324307D+01  0.695683D+01 -0.284113D+01  0.442111D+01 -0.378663D+01
      6   0.494999D+01 -0.555001D+01  0.488952D+01 -0.835166D+01  0.101431D+02
               106           107           108           109           110 
      1   0.206454D+01  0.368735D+01 -0.268275D+01 -0.276658D+01 -0.875472D+01
      2   0.263671D+01 -0.103712D+02  0.314336D+01  0.440608D+01  0.130173D+02
      3  -0.470126D+01  0.668384D+01 -0.460616D+00 -0.163950D+01 -0.426261D+01
      4  -0.862309D+01  0.102716D+02 -0.807259D+01  0.939593D+01  0.764629D+01
      5   0.742520D+01 -0.502865D+01  0.957524D+01  0.310323D+01  0.188675D+01
      6  -0.625901D+01  0.118558D+02 -0.160668D+02  0.563564D+01  0.844317D+01
               111           112           113           114           115 
      1  -0.563120D+01 -0.648747D+01 -0.165886D+02 -0.824954D+01 -0.477923D+01
      2   0.423920D+01  0.839269D+01  0.248896D+02  0.795954D+01  0.383029D+01
      3   0.139200D+01 -0.190522D+01 -0.830102D+01  0.290002D+00  0.948934D+00
      4   0.413296D+01  0.726919D+01  0.540954D+01  0.310760D+01  0.424983D+01
      5   0.385330D+01  0.125420D+01  0.162649D+01  0.230838D+00  0.420572D+01
      6   0.667352D+01  0.580890D+01  0.135542D+02  0.112459D+02  0.381994D+01
               116           117           118           119           120 
      1  -0.890920D+01 -0.750005D+01  0.192837D+02  0.403051D+00 -0.763432D+01
      2   0.872174D+01  0.428859D+01 -0.140521D+02 -0.251821D+01  0.101781D+02
      3   0.187453D+00  0.321146D+01 -0.523162D+01  0.211515D+01 -0.254382D+01
      4   0.292384D+01  0.156494D+01 -0.122157D+02  0.644993D+01  0.654104D+01
      5   0.418431D+00  0.126462D+01 -0.163895D+02  0.100158D+01  0.138458D+02
      6   0.123746D+02  0.103144D+02  0.700844D+01 -0.178348D+01 -0.684961D+01
               121           122           123           124           125 
      1   0.272392D+01  0.862723D+00 -0.140685D+01 -0.828874D+01 -0.171180D+01
      2  -0.316764D+01 -0.776907D+00  0.312568D+01  0.104133D+02  0.291563D+01
      3   0.443717D+00 -0.858160D-01 -0.171883D+01 -0.212458D+01 -0.120383D+01
      4   0.368263D+01  0.719969D+00 -0.131566D+01  0.731033D+01 -0.266595D+01
      5  -0.179411D+01 -0.217618D+01  0.150118D+01  0.140848D+02 -0.139556D+01
      6  -0.857569D+00  0.106030D+00  0.305831D+01 -0.647410D+01  0.520777D+01
               126           127           128           129           130 
      1   0.209479D+01  0.501628D+01 -0.207816D+01 -0.265066D+00 -0.238713D+01
      2  -0.907355D+01  0.185278D+01 -0.765195D+01 -0.114731D+01 -0.759356D+01
      3   0.697876D+01 -0.686906D+01  0.973011D+01  0.141238D+01  0.998070D+01
      4  -0.633045D+01 -0.107887D+02  0.131028D+02 -0.502090D+00  0.135592D+02
      5  -0.134861D+02  0.486520D+01 -0.395344D+01  0.452328D+01 -0.461023D+01
      6   0.727267D+01 -0.437615D+01  0.639857D+01 -0.134953D+01  0.620114D+01
               131           132           133           134           135 
      1  -0.636760D+01  0.265887D+01 -0.102539D+01  0.548489D+00 -0.660140D+00
      2   0.242221D+02  0.126005D+01 -0.105851D+01  0.397513D+01  0.165716D+01
      3  -0.178545D+02 -0.391892D+01  0.208390D+01 -0.452362D+01 -0.997021D+00
      4  -0.185356D+02  0.495470D+00  0.211231D+01 -0.244992D+01 -0.188369D+01
      5   0.589427D+01 -0.212431D+01  0.269805D+01 -0.105492D+01 -0.107645D+01
      6  -0.136767D+02  0.629928D+01 -0.587282D+00  0.344995D+01  0.759786D+00
               136           137           138           139           140 
      1  -0.234901D+01 -0.362799D+01  0.916010D+01 -0.265460D+01 -0.384561D+01
      2  -0.432647D+01  0.420433D+00  0.540202D+01 -0.348100D+00  0.245461D+01
      3   0.667548D+01  0.320755D+01 -0.145621D+02  0.300270D+01  0.139100D+01
      4   0.665237D+01  0.458706D+01 -0.413751D+01  0.450574D+01  0.958076D+00
      5  -0.130275D+02 -0.294189D+01  0.114813D+02 -0.210034D+01 -0.211165D+01
      6  -0.534947D+01 -0.671137D+01  0.910709D+01 -0.387786D+01 -0.624443D+01
               141           142           143           144           145 
      1   0.495090D+01  0.725502D+01  0.522764D+01 -0.146278D+02  0.102644D+02
      2  -0.108055D+01  0.286105D+01 -0.478296D+00 -0.984824D+01 -0.127754D+02
      3  -0.387035D+01 -0.101161D+02 -0.474935D+01  0.244761D+02  0.251104D+01
      4  -0.240204D+01 -0.362698D+01 -0.218294D+01  0.416154D+01  0.203966D+01
      5   0.323982D+01  0.103896D+02  0.337779D+01 -0.922768D+01  0.168877D+02
      6   0.820571D+01  0.632375D+01  0.819397D+01 -0.117231D+02  0.323700D+01
               146           147           148           149           150 
      1   0.317241D+01  0.302466D+01  0.434489D+01  0.842721D+00 -0.131191D+01
      2  -0.607573D+01 -0.987134D+01 -0.716807D+01 -0.176966D+01 -0.660379D+01
      3   0.290332D+01  0.684668D+01  0.282318D+01  0.926934D+00  0.791570D+01
      4   0.520896D+01  0.654870D+00  0.492666D+01  0.417288D+01  0.220015D+01
      5   0.580850D+01  0.147989D+02  0.896279D+01  0.659714D+01  0.897466D+01
      6   0.578200D+01  0.337057D+01  0.548127D+01  0.798062D+01  0.580844D+01
               151           152           153 
      1   0.259982D+01 -0.150808D+00 -0.288101D+01
      2  -0.872323D+01 -0.443273D+01 -0.116172D+02
      3   0.612341D+01  0.458353D+01  0.144982D+02
      4   0.392071D+00  0.129470D+01  0.195212D+01
      5   0.128898D+02  0.589460D+01  0.125168D+02
      6   0.350659D+01  0.540427D+01  0.351577D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 18:48:57 2022, MaxMem=  5368709120 cpu:            6983.0 elap:             874.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44184 -10.41844 -10.41844 -10.41844 -10.41836
 Alpha  occ. eigenvalues --   -0.96357  -0.81762  -0.81761  -0.81760  -0.65333
 Alpha  occ. eigenvalues --   -0.56278  -0.56278  -0.56278  -0.50996  -0.50996
 Alpha  occ. eigenvalues --   -0.46818  -0.46818  -0.46818  -0.41794  -0.41794
 Alpha  occ. eigenvalues --   -0.41793
 Alpha virt. eigenvalues --   -0.00921   0.00372   0.00373   0.00373   0.02435
 Alpha virt. eigenvalues --    0.02435   0.02435   0.02779   0.02779   0.05331
 Alpha virt. eigenvalues --    0.05331   0.05331   0.07038   0.08779   0.08780
 Alpha virt. eigenvalues --    0.08780   0.12934   0.12934   0.12934   0.13391
 Alpha virt. eigenvalues --    0.14693   0.14693   0.15087   0.15087   0.15087
 Alpha virt. eigenvalues --    0.17222   0.17223   0.17223   0.17762   0.17762
 Alpha virt. eigenvalues --    0.17763   0.20178   0.24986   0.24986   0.27628
 Alpha virt. eigenvalues --    0.27628   0.27628   0.30731   0.30732   0.30732
 Alpha virt. eigenvalues --    0.31603   0.31604   0.31604   0.35812   0.35812
 Alpha virt. eigenvalues --    0.35812   0.36690   0.39769   0.39770   0.41280
 Alpha virt. eigenvalues --    0.41281   0.41282   0.41594   0.42602   0.42602
 Alpha virt. eigenvalues --    0.42603   0.44441   0.44441   0.44441   0.48897
 Alpha virt. eigenvalues --    0.48898   0.49101   0.51169   0.51169   0.51169
 Alpha virt. eigenvalues --    0.52151   0.52152   0.52152   0.52497   0.52498
 Alpha virt. eigenvalues --    0.57772   0.57772   0.57773   0.58097   0.59417
 Alpha virt. eigenvalues --    0.59418   0.59418   0.63546   0.63546   0.63547
 Alpha virt. eigenvalues --    0.64258   0.64258   0.64259   0.65102   0.67123
 Alpha virt. eigenvalues --    0.67124   0.67125   0.68087   0.73809   0.73809
 Alpha virt. eigenvalues --    0.73914   0.73915   0.73915   0.80394   0.80394
 Alpha virt. eigenvalues --    0.80395   0.80944   0.80944   0.80945   0.81887
 Alpha virt. eigenvalues --    0.81888   0.83914   0.83914   0.83915   0.90519
 Alpha virt. eigenvalues --    0.90520   0.90521   0.95662   0.96605   0.96606
 Alpha virt. eigenvalues --    0.96607   0.97590   0.97590   1.07772   1.07774
 Alpha virt. eigenvalues --    1.12957   1.12958   1.12959   1.20937   1.21912
 Alpha virt. eigenvalues --    1.21913   1.21914   1.25058   1.25059   1.25059
 Alpha virt. eigenvalues --    1.40324   1.40324   1.40325   1.44753   1.44754
 Alpha virt. eigenvalues --    1.44755   1.54098   1.54099   1.54100   1.62174
 Alpha virt. eigenvalues --    1.63329   1.63330   1.67066   1.67068   1.67069
 Alpha virt. eigenvalues --    1.69940   1.69943   1.76631   1.84404   1.84406
 Alpha virt. eigenvalues --    1.84407   1.88421   1.88422   1.89193   1.89194
 Alpha virt. eigenvalues --    1.89194   1.91999   1.92003   1.92004   1.98776
 Alpha virt. eigenvalues --    1.98776   1.98777   2.08682   2.08682   2.08683
 Alpha virt. eigenvalues --    2.09141   2.11314   2.11317   2.11317   2.14092
 Alpha virt. eigenvalues --    2.14094   2.18576   2.18580   2.18582   2.30513
 Alpha virt. eigenvalues --    2.30514   2.30516   2.31897   2.31900   2.36282
 Alpha virt. eigenvalues --    2.38744   2.38746   2.38746   2.42803   2.42805
 Alpha virt. eigenvalues --    2.42806   2.52918   2.52919   2.60670   2.60912
 Alpha virt. eigenvalues --    2.60914   2.60915   2.67429   2.67431   2.67432
 Alpha virt. eigenvalues --    2.75317   2.75321   2.75322   2.82962   2.82962
 Alpha virt. eigenvalues --    2.82963   2.96854   3.07759   3.07763   3.25432
 Alpha virt. eigenvalues --    3.25437   3.25440
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.483958  -0.525551  -0.525586  -0.525583  -0.525326   0.116612
     2  C   -0.525551   5.419465  -0.205820  -0.205726  -0.205612   0.078916
     3  C   -0.525586  -0.205820   5.419441  -0.205673  -0.205607   0.014438
     4  C   -0.525583  -0.205726  -0.205673   5.419583  -0.205698   0.014457
     5  C   -0.525326  -0.205612  -0.205607  -0.205698   5.419060  -0.030083
     6  H    0.116612   0.078916   0.014438   0.014457  -0.030083   2.236944
     7  H    0.117010   0.078498   0.014418  -0.030105   0.014443  -0.580239
     8  H    0.117236   0.078536  -0.030123   0.014373   0.014397  -0.580184
     9  H    0.117120   0.013856   0.078704   0.014911  -0.030093  -0.098226
    10  H    0.117047  -0.030116   0.078614   0.013908   0.014873   0.025529
    11  H    0.116734   0.014973   0.078600  -0.030083   0.013975   0.019677
    12  H    0.117187   0.014517   0.014301   0.078392  -0.030090  -0.098244
    13  H    0.116699   0.014354  -0.030102   0.078740   0.014561   0.019642
    14  H    0.117004  -0.030100   0.014542   0.078773   0.014253   0.025554
    15  H    0.117085   0.014170   0.014579  -0.030093   0.078769   0.025547
    16  H    0.116894  -0.030064   0.014211   0.014642   0.078472  -0.034238
    17  H    0.117088   0.014589  -0.030063   0.014164   0.078635   0.025552
               7          8          9         10         11         12
     1  C    0.117010   0.117236   0.117120   0.117047   0.116734   0.117187
     2  C    0.078498   0.078536   0.013856  -0.030116   0.014973   0.014517
     3  C    0.014418  -0.030123   0.078704   0.078614   0.078600   0.014301
     4  C   -0.030105   0.014373   0.014911   0.013908  -0.030083   0.078392
     5  C    0.014443   0.014397  -0.030093   0.014873   0.013975  -0.030090
     6  H   -0.580239  -0.580184  -0.098226   0.025529   0.019677  -0.098244
     7  H    2.236919  -0.580210   0.019620   0.025568  -0.098252   0.025554
     8  H   -0.580210   2.236746   0.025538  -0.034239   0.025554   0.019650
     9  H    0.019620   0.025538   2.236823  -0.580239  -0.580273  -0.098257
    10  H    0.025568  -0.034239  -0.580239   2.236974  -0.580183   0.019613
    11  H   -0.098252   0.025554  -0.580273  -0.580183   2.236989   0.025571
    12  H    0.025554   0.019650  -0.098257   0.019613   0.025571   2.236731
    13  H    0.025547  -0.098254   0.025549   0.025546  -0.034238  -0.580218
    14  H   -0.034239   0.025544   0.019676  -0.098249   0.025531  -0.580189
    15  H   -0.098276   0.019634   0.025532   0.019674  -0.098262  -0.034240
    16  H    0.025556   0.025559   0.025570  -0.098276   0.019605   0.025549
    17  H    0.019651  -0.098260  -0.034238   0.025552   0.025565   0.025554
              13         14         15         16         17
     1  C    0.116699   0.117004   0.117085   0.116894   0.117088
     2  C    0.014354  -0.030100   0.014170  -0.030064   0.014589
     3  C   -0.030102   0.014542   0.014579   0.014211  -0.030063
     4  C    0.078740   0.078773  -0.030093   0.014642   0.014164
     5  C    0.014561   0.014253   0.078769   0.078472   0.078635
     6  H    0.019642   0.025554   0.025547  -0.034238   0.025552
     7  H    0.025547  -0.034239  -0.098276   0.025556   0.019651
     8  H   -0.098254   0.025544   0.019634   0.025559  -0.098260
     9  H    0.025549   0.019676   0.025532   0.025570  -0.034238
    10  H    0.025546  -0.098249   0.019674  -0.098276   0.025552
    11  H   -0.034238   0.025531  -0.098262   0.019605   0.025565
    12  H   -0.580218  -0.580189  -0.034240   0.025549   0.025554
    13  H    2.237110  -0.580269   0.025551   0.019673  -0.098276
    14  H   -0.580269   2.236836   0.025559  -0.098267   0.019626
    15  H    0.025551   0.025559   2.237170  -0.580298  -0.580321
    16  H    0.019673  -0.098267  -0.580298   2.237208  -0.580281
    17  H   -0.098276   0.019626  -0.580321  -0.580281   2.237024
 Mulliken charges:
               1
     1  C   -3.785627
     2  C    1.491114
     3  C    1.491125
     4  C    1.491017
     5  C    1.491071
     6  H   -0.181654
     7  H   -0.181463
     8  H   -0.181497
     9  H   -0.181575
    10  H   -0.181595
    11  H   -0.181483
    12  H   -0.181380
    13  H   -0.181615
    14  H   -0.181585
    15  H   -0.181779
    16  H   -0.181514
    17  H   -0.181561
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.785627
     2  C    0.946501
     3  C    0.946472
     4  C    0.946438
     5  C    0.946217
 Electronic spatial extent (au):  <R**2>=            484.2697
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0001
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.5867   YY=            -35.5866   ZZ=            -35.5865
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3812  YYY=             -1.0632  ZZZ=             -0.8600  XYY=              1.7121
  XXY=              0.0183  XXZ=              1.3707  XZZ=             -1.3313  YZZ=              1.0449
  YYZ=             -0.5110  XYZ=              1.8349
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -233.6998 YYYY=           -232.6736 ZZZZ=           -232.9849 XXXY=              1.1179
 XXXZ=             -1.0192 YYYX=             -1.2008 YYYZ=              1.3875 ZZZX=              0.5450
 ZZZY=             -1.7076 XXYY=            -76.5481 XXZZ=            -76.2302 YYZZ=            -77.2401
 XXYZ=              0.3191 YYXZ=              0.4746 ZZXY=              0.0827
 N-N= 1.985943013625D+02 E-N=-8.535445951029D+02  KE= 1.961274434663D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 18:48:57 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290710D-06-2.40208701D-06-2.94381935D-06
 Polarizability= 6.33545600D+01 1.19950012D-04 6.33541331D+01
                 3.32805351D-04-2.65587196D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0169    0.0127       -0.0084   -0.0035
 2     -0.0169   -0.0127        0.0169    0.0132        0.0084    0.0023
 3      0.0084    0.0035       -0.0108   -0.0052       -0.0182   -0.0132
 4     -0.0169   -0.0132        0.0000    0.0000        0.0090    0.0035
 5      0.0025    0.0030       -0.0090   -0.0035        0.0174    0.0127
 6      0.0182    0.0132       -0.0174   -0.0127        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0382   -0.0382       -0.0105   -0.0105
 2     -0.0395   -0.0395       -0.0000    0.0000       -0.0105   -0.0105
 3     -0.0395   -0.0395       -0.0382   -0.0382        0.0000    0.0000
 4     -0.0382   -0.0382        0.0395    0.0395        0.0068    0.0068
 5      0.0105    0.0105       -0.0157   -0.0157       -0.0395   -0.0395
 6      0.0090    0.0090       -0.0105   -0.0105        0.0382    0.0382
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0327    0.0000        0.2038   -0.0510        0.0547    0.0140
 2     -0.0358    0.0510        0.2257   -0.0526       -0.1470   -0.0090
 3      0.0865   -0.0140       -0.0372    0.0210       -0.0572    0.0526
 4     -0.0710    0.0526       -0.0239    0.0000        0.1630   -0.0140
 5     -0.1402   -0.0119       -0.3120    0.0140        0.0076   -0.0510
 6     -0.0408   -0.0526        0.3043    0.0510        0.1187    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2293    0.0000        0.2100   -0.0024        0.1131    0.0310
 2     -0.1464    0.0024       -0.2112   -0.0760        0.3945    0.0648
 3     -0.4517   -0.0310        0.3605    0.0127       -0.2098    0.0760
 4      0.1542    0.0760       -0.0839    0.0000        0.0832   -0.0310
 5     -0.3274   -0.0775       -0.4346    0.0310       -0.4661   -0.0024
 6      0.0466   -0.0760       -0.1387    0.0024       -0.2309    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.7629    5.2278        2.0415    1.7676        3.0572    3.2327
 2      4.6870    5.2623        2.2338    1.7755        3.1623    3.2327
 3      4.9605    5.2623        1.9441    1.7676        3.0336    3.1974
 4      0.0501   -0.0078       -0.3418   -0.0345        0.3064    0.0812
 5     -0.6207   -0.0353        0.2013   -0.0438       -0.1726    0.0345
 6     -0.3743   -0.0373       -0.3270    0.0353       -0.2643    0.0078
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0041   -5.0059   -2.2749   -0.0008   -0.0005   -0.0005
 Low frequencies ---  161.8860  206.5480  230.3120
 Diagonal vibrational polarizability:
        0.7232526       0.7231504       0.7231783
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.8849               206.5478               230.3118
 Red. masses --      1.6872                 1.8150                 1.4621
 Frc consts  --      0.0261                 0.0456                 0.0457
 IR Inten    --      0.0001                 0.0001                 0.0001
 RamAct Fr= 1--      0.0001                 0.0025                 0.0197
  Dep-P Fr= 1--      0.3704                 0.6617                 0.7498
  Dep-U Fr= 1--      0.5405                 0.7964                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0003                 0.0028
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0004                -0.0014                -0.0034
 Delta2 Fr= 1--      0.0004                 0.0001                -0.0014
 Raman1 Fr= 1--       0.000                  0.010                  0.079
 ROA1   Fr= 1--      -0.024                 -0.135                 -0.374
 CID1   Fr= 1--     -76.966                -13.509                 -4.759
 Raman2 Fr= 1--       0.000                  0.004                  0.034
 ROA2   Fr= 1--      -0.012                 -0.035                 -0.071
 CID2   Fr= 1--    -144.873                 -8.850                 -2.115
 Raman3 Fr= 1--       0.000                  0.008                  0.067
 ROA3   Fr= 1--      -0.024                 -0.135                 -0.374
 CID3   Fr= 1--    -142.391                -16.963                 -5.553
 RC180  Fr= 1--       0.081                  0.593                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.01  -0.05  -0.01     0.01   0.00   0.01
     3   6    -0.01  -0.00   0.00    -0.02   0.01   0.00     0.01  -0.03   0.02
     4   6     0.01  -0.01   0.01     0.03   0.01  -0.02    -0.01   0.00  -0.05
     5   6     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.01   0.02   0.01
     6   1     0.00   0.22   0.10     0.04   0.05   0.03     0.07   0.47   0.23
     7   1    -0.16  -0.02  -0.21    -0.08  -0.08  -0.08    -0.28  -0.04  -0.38
     8   1     0.11  -0.19   0.06     0.09  -0.15   0.03     0.24  -0.38   0.20
     9   1     0.27  -0.15  -0.20    -0.27   0.15   0.19    -0.09  -0.02   0.07
    10   1    -0.20   0.31  -0.13     0.15  -0.23   0.13     0.08  -0.12   0.07
    11   1    -0.12  -0.16   0.34     0.03   0.13  -0.30     0.06   0.01  -0.06
    12   1    -0.17  -0.10   0.04    -0.02  -0.03  -0.02    -0.11  -0.09  -0.06
    13   1     0.06   0.06  -0.16     0.07   0.03  -0.09     0.01   0.07  -0.17
    14   1     0.14   0.01   0.18     0.07   0.05   0.04     0.06   0.04   0.05
    15   1     0.26   0.13  -0.05     0.36   0.22  -0.01    -0.19  -0.10   0.05
    16   1    -0.01  -0.27  -0.13    -0.08  -0.37  -0.19    -0.00   0.21   0.09
    17   1    -0.20   0.10   0.14    -0.36   0.18   0.25     0.14  -0.06  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9136               302.0783               302.6921
 Red. masses --      1.0700                 2.5435                 2.4688
 Frc consts  --      0.0442                 0.1367                 0.1333
 IR Inten    --      0.0000                 0.0013                 0.0020
 RamAct Fr= 1--      0.0063                 0.9473                 0.9406
  Dep-P Fr= 1--      0.5554                 0.7497                 0.7500
  Dep-U Fr= 1--      0.7142                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0008                 0.1353                 0.1344
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0026                -0.0047                 0.0124
 Delta2 Fr= 1--     -0.0044                -0.0057                 0.0053
 Raman1 Fr= 1--       0.025                  3.789                  3.762
 ROA1   Fr= 1--       0.113                 -0.635                  1.358
 CID1   Fr= 1--       4.442                 -0.168                  0.361
 Raman2 Fr= 1--       0.009                  1.624                  1.612
 ROA2   Fr= 1--       0.099                 -0.067                  0.255
 CID2   Fr= 1--      10.890                 -0.041                  0.158
 Raman3 Fr= 1--       0.018                  3.247                  3.225
 ROA3   Fr= 1--       0.113                 -0.635                  1.358
 CID3   Fr= 1--       6.219                 -0.196                  0.421
 RC180  Fr= 1--       0.428                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.02   0.02
     2   6    -0.01  -0.00  -0.02     0.07  -0.11   0.07    -0.10  -0.09  -0.11
     3   6    -0.01  -0.01   0.02    -0.08   0.09  -0.06     0.07   0.00  -0.12
     4   6     0.00  -0.00  -0.01    -0.14  -0.10   0.00     0.05  -0.02   0.14
     5   6     0.02   0.01  -0.01     0.14   0.09   0.00    -0.03   0.10   0.10
     6   1    -0.01   0.13   0.05     0.23  -0.06   0.04    -0.23  -0.05  -0.04
     7   1    -0.09  -0.01  -0.13    -0.02  -0.18   0.12    -0.26  -0.15  -0.23
     8   1     0.06  -0.11   0.03     0.12  -0.22   0.15     0.07  -0.18  -0.24
     9   1    -0.00  -0.05   0.00    -0.01   0.27  -0.00     0.21   0.09  -0.14
    10   1    -0.01   0.03   0.04    -0.14   0.17  -0.10    -0.02  -0.12  -0.29
    11   1    -0.03  -0.04   0.07    -0.24   0.05  -0.18     0.17   0.07  -0.17
    12   1     0.48   0.28  -0.07    -0.18  -0.15   0.00     0.04   0.11   0.22
    13   1    -0.13  -0.22   0.47    -0.26  -0.02   0.06     0.11  -0.12   0.21
    14   1    -0.33  -0.05  -0.44    -0.14  -0.25  -0.04     0.08  -0.06   0.16
    15   1     0.07   0.04  -0.01     0.18   0.10   0.04    -0.05   0.04   0.30
    16   1     0.02  -0.05  -0.02     0.27   0.13   0.17    -0.06   0.26   0.12
    17   1    -0.03   0.04   0.01     0.19   0.20  -0.21    -0.04   0.19   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    374.2099               381.7142               390.4038
 Red. masses --      2.5028                 2.3987                 2.2782
 Frc consts  --      0.2065                 0.2059                 0.2046
 IR Inten    --      0.0417                 0.0450                 0.0519
 RamAct Fr= 1--      0.1895                 0.2298                 0.2876
  Dep-P Fr= 1--      0.7394                 0.7408                 0.7338
  Dep-U Fr= 1--      0.8502                 0.8511                 0.8465
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0269                 0.0326                 0.0406
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0160                 0.0070                -0.0154
 Delta2 Fr= 1--      0.0031                 0.0021                 0.0032
 Raman1 Fr= 1--       0.758                  0.919                  1.151
 ROA1   Fr= 1--       1.631                  0.741                 -1.379
 CID1   Fr= 1--       2.151                  0.806                 -1.199
 Raman2 Fr= 1--       0.322                  0.391                  0.487
 ROA2   Fr= 1--       0.358                  0.152                 -0.396
 CID2   Fr= 1--       1.112                  0.389                 -0.814
 Raman3 Fr= 1--       0.644                  0.782                  0.974
 ROA3   Fr= 1--       1.631                  0.741                 -1.379
 CID3   Fr= 1--       2.530                  0.947                 -1.416
 RC180  Fr= 1--       0.700                  0.702                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.11   0.01    -0.02   0.02   0.14    -0.10  -0.10   0.01
     2   6    -0.01   0.12  -0.06    -0.12  -0.05   0.03    -0.06   0.06   0.13
     3   6    -0.03   0.05   0.01     0.06   0.06  -0.00    -0.09  -0.10  -0.08
     4   6     0.05  -0.13  -0.11    -0.05   0.09  -0.12     0.14   0.04  -0.03
     5   6    -0.00  -0.03   0.12     0.09  -0.10   0.06     0.06   0.03   0.00
     6   1    -0.27   0.13   0.04    -0.27  -0.07   0.09    -0.02   0.08   0.13
     7   1     0.17   0.28  -0.22    -0.22  -0.09  -0.04     0.14   0.18   0.14
     8   1    -0.12   0.27  -0.10    -0.01  -0.07  -0.11    -0.25   0.15   0.28
     9   1    -0.00   0.25   0.09     0.22   0.19  -0.01    -0.03  -0.06  -0.09
    10   1    -0.05   0.22   0.04    -0.04  -0.06  -0.18    -0.14  -0.16  -0.17
    11   1    -0.29  -0.04  -0.13     0.15   0.13  -0.08    -0.06  -0.07  -0.11
    12   1     0.08  -0.24  -0.19     0.09  -0.12  -0.31     0.24   0.09  -0.05
    13   1    -0.02  -0.04  -0.14    -0.12   0.21  -0.20     0.36  -0.11  -0.13
    14   1     0.01  -0.11  -0.15    -0.16   0.26  -0.21     0.12   0.33   0.04
    15   1    -0.02  -0.10   0.35     0.10  -0.03  -0.19     0.14   0.07   0.04
    16   1    -0.11   0.11   0.05     0.18  -0.26   0.11     0.20   0.04   0.17
    17   1    -0.06   0.01   0.16     0.15  -0.19   0.09     0.07   0.19  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    679.2738               752.7266               767.7135
 Red. masses --      3.3259                 2.4770                 2.5004
 Frc consts  --      0.9042                 0.8269                 0.8683
 IR Inten    --      0.0293                 0.1214                 0.2257
 RamAct Fr= 1--     16.4353                 1.1718                 2.2078
  Dep-P Fr= 1--      0.0033                 0.5080                 0.4571
  Dep-U Fr= 1--      0.0065                 0.6738                 0.6275
 Alpha2 Fr= 1--      0.3624                 0.0056                 0.0131
 Beta2  Fr= 1--      0.0179                 0.1316                 0.2309
 AlphaG Fr= 1--     -0.0003                -0.0000                 0.0002
 Gamma2 Fr= 1--     -0.0500                -0.2114                 0.0831
 Delta2 Fr= 1--     -0.0515                -0.2421                 0.0825
 Raman1 Fr= 1--      65.741                  4.687                  8.831
 ROA1   Fr= 1--      -6.449                -28.039                 10.620
 CID1   Fr= 1--      -0.098                 -5.982                  1.203
 Raman2 Fr= 1--       0.215                  1.579                  2.771
 ROA2   Fr= 1--      -0.789                 -3.135                  1.335
 CID2   Fr= 1--      -3.665                 -1.986                  0.482
 Raman3 Fr= 1--       0.430                  3.158                  5.541
 ROA3   Fr= 1--      -6.449                -28.039                 10.620
 CID3   Fr= 1--     -14.982                 -8.879                  1.917
 RC180  Fr= 1--      -0.987                  0.348                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04   0.00    -0.00   0.00  -0.03    -0.06  -0.02   0.00
     2   6     0.10   0.06  -0.14    -0.01  -0.01   0.03    -0.03   0.03  -0.09
     3   6    -0.13  -0.11  -0.07    -0.00   0.12  -0.10    -0.07   0.09   0.14
     4   6    -0.09   0.16   0.05    -0.03   0.05   0.01     0.04  -0.09  -0.02
     5   6     0.12  -0.07   0.16     0.02  -0.16   0.01     0.00  -0.05  -0.03
     6   1     0.32   0.07  -0.24    -0.11  -0.05   0.05     0.40   0.12  -0.22
     7   1     0.08   0.02  -0.06    -0.06  -0.03   0.00     0.10   0.06   0.06
     8   1     0.13   0.01  -0.10     0.03  -0.00  -0.04    -0.15  -0.01   0.16
     9   1    -0.14  -0.17  -0.11    -0.31  -0.32  -0.20     0.21   0.12   0.04
    10   1    -0.21  -0.21  -0.20     0.23   0.13   0.19    -0.23  -0.26  -0.18
    11   1    -0.15  -0.11  -0.11     0.19   0.13   0.21     0.41   0.34   0.20
    12   1    -0.08   0.15   0.04    -0.01  -0.06  -0.06     0.08  -0.18  -0.09
    13   1    -0.11   0.18   0.05    -0.10   0.14  -0.02     0.00  -0.04  -0.05
    14   1    -0.10   0.17   0.03    -0.06   0.05  -0.03    -0.01  -0.05  -0.07
    15   1     0.08  -0.12   0.24     0.23  -0.17   0.46     0.04  -0.09   0.19
    16   1     0.06  -0.08   0.10     0.09   0.02   0.15    -0.03   0.05  -0.03
    17   1     0.13  -0.22   0.36    -0.08   0.18  -0.27    -0.08   0.07  -0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    805.6882               827.3217               873.5179
 Red. masses --      2.6097                 2.4535                 2.3169
 Frc consts  --      0.9981                 0.9894                 1.0416
 IR Inten    --      0.2700                 0.2336                 0.4078
 RamAct Fr= 1--      3.0300                 4.4860                 3.4612
  Dep-P Fr= 1--      0.7289                 0.3758                 0.5824
  Dep-U Fr= 1--      0.8432                 0.5463                 0.7361
 Alpha2 Fr= 1--      0.0011                 0.0362                 0.0109
 Beta2  Fr= 1--      0.4258                 0.4084                 0.4246
 AlphaG Fr= 1--     -0.0001                 0.0001                 0.0002
 Gamma2 Fr= 1--      0.2370                 0.2647                -0.0163
 Delta2 Fr= 1--      0.2979                 0.3081                 0.0454
 Raman1 Fr= 1--      12.120                 17.944                 13.845
 ROA1   Fr= 1--      32.283                 35.272                 -0.116
 CID1   Fr= 1--       2.664                  1.966                 -0.008
 Raman2 Fr= 1--       5.110                  4.901                  5.095
 ROA2   Fr= 1--       3.304                  3.888                 -0.756
 CID2   Fr= 1--       0.647                  0.793                 -0.148
 Raman3 Fr= 1--      10.220                  9.802                 10.191
 ROA3   Fr= 1--      32.283                 35.272                 -0.116
 CID3   Fr= 1--       3.159                  3.598                 -0.011
 RC180  Fr= 1--       0.686                  0.093                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.05  -0.04   0.07    -0.10  -0.03   0.04
     2   6    -0.05   0.01  -0.04     0.21  -0.02  -0.04     0.04   0.06  -0.10
     3   6     0.14  -0.08   0.06    -0.06  -0.03   0.07     0.05   0.03  -0.03
     4   6    -0.10   0.12   0.04    -0.03   0.08   0.04    -0.01  -0.07  -0.01
     5   6    -0.01  -0.09  -0.08    -0.10  -0.05  -0.04    -0.12  -0.04   0.18
     6   1     0.23   0.03  -0.14    -0.33  -0.02   0.18     0.21   0.03  -0.19
     7   1    -0.04  -0.02   0.07     0.28   0.12  -0.31    -0.00   0.02  -0.08
     8   1    -0.05  -0.06   0.07     0.17   0.16  -0.23     0.12   0.01  -0.14
     9   1     0.29   0.35   0.22     0.09   0.05   0.05    -0.04   0.01   0.00
    10   1     0.10   0.19   0.10    -0.20  -0.23  -0.17     0.15   0.16   0.13
    11   1    -0.21  -0.20  -0.16     0.01   0.02   0.00     0.01  -0.01   0.03
    12   1     0.02   0.16   0.01    -0.06  -0.04  -0.01     0.08   0.03   0.00
    13   1     0.07   0.02  -0.04    -0.18   0.23   0.06     0.21  -0.23  -0.08
    14   1    -0.12   0.36   0.08    -0.06  -0.00  -0.02    -0.00   0.17   0.07
    15   1     0.08  -0.15   0.29     0.04   0.05  -0.09     0.05   0.20  -0.34
    16   1    -0.04   0.07  -0.06     0.04  -0.04   0.12     0.22  -0.27   0.48
    17   1    -0.14   0.16  -0.24    -0.10   0.22  -0.39     0.10   0.05  -0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    920.8084               994.6243              1007.4653
 Red. masses --      1.6302                 1.6512                 1.7486
 Frc consts  --      0.8144                 0.9624                 1.0457
 IR Inten    --      0.4245                 0.0798                 0.1197
 RamAct Fr= 1--      3.3578                 1.8998                 2.6898
  Dep-P Fr= 1--      0.6746                 0.7256                 0.7304
  Dep-U Fr= 1--      0.8056                 0.8410                 0.8442
 Alpha2 Fr= 1--      0.0045                 0.0008                 0.0009
 Beta2  Fr= 1--      0.4509                 0.2663                 0.3785
 AlphaG Fr= 1--      0.0003                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.3784                -0.0646                 0.0731
 Delta2 Fr= 1--     -0.5637                -0.0990                -0.0505
 Raman1 Fr= 1--      13.431                  7.599                 10.759
 ROA1   Fr= 1--     -54.368                 -9.372                  5.400
 CID1   Fr= 1--      -4.048                 -1.233                  0.502
 Raman2 Fr= 1--       5.410                  3.195                  4.542
 ROA2   Fr= 1--      -4.572                 -0.759                  2.158
 CID2   Fr= 1--      -0.845                 -0.238                  0.475
 Raman3 Fr= 1--      10.821                  6.391                  9.083
 ROA3   Fr= 1--     -54.368                 -9.372                  5.400
 CID3   Fr= 1--      -5.024                 -1.466                  0.595
 RC180  Fr= 1--       0.611                  0.682                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.11     0.07   0.01   0.03    -0.01  -0.10   0.06
     2   6     0.00  -0.11  -0.03    -0.11  -0.04  -0.03     0.02  -0.09  -0.07
     3   6     0.01   0.03   0.02     0.03  -0.01  -0.02    -0.00   0.03  -0.05
     4   6    -0.04   0.08  -0.06     0.10   0.06   0.03    -0.05  -0.01   0.12
     5   6     0.01  -0.01   0.06    -0.05  -0.02   0.05     0.04   0.08  -0.04
     6   1    -0.10   0.12   0.14     0.20   0.12  -0.07     0.04   0.12   0.04
     7   1     0.41   0.17  -0.15     0.12   0.07   0.06     0.36   0.13  -0.13
     8   1    -0.36   0.10   0.24    -0.29   0.00   0.19    -0.24   0.07   0.12
     9   1     0.09   0.09   0.02    -0.01  -0.08  -0.04    -0.05  -0.05  -0.08
    10   1     0.05   0.06   0.07     0.04  -0.02  -0.01     0.12   0.08   0.11
    11   1     0.14   0.09   0.05    -0.14  -0.08  -0.09     0.06   0.04   0.05
    12   1    -0.26   0.41   0.23    -0.10  -0.25  -0.06     0.26  -0.31  -0.20
    13   1     0.03  -0.13   0.13    -0.39   0.46   0.15     0.00   0.14  -0.15
    14   1     0.13  -0.20   0.08     0.04  -0.39  -0.18    -0.26   0.47   0.00
    15   1     0.05   0.03   0.00     0.00   0.06  -0.14    -0.16  -0.00  -0.13
    16   1     0.07  -0.09   0.10    -0.00  -0.04   0.09    -0.05   0.07  -0.14
    17   1     0.09  -0.10   0.08    -0.01   0.08  -0.15    -0.05   0.02   0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.4919              1078.4669              1084.3734
 Red. masses --      2.1991                 2.1791                 2.2789
 Frc consts  --      1.5015                 1.4933                 1.5788
 IR Inten    --      2.9359                 3.6968                 4.7134
 RamAct Fr= 1--      1.7187                 2.0233                 1.2382
  Dep-P Fr= 1--      0.7385                 0.7479                 0.7400
  Dep-U Fr= 1--      0.8496                 0.8558                 0.8506
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0002
 Beta2  Fr= 1--      0.2434                 0.2886                 0.1755
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1036                -0.0407                -0.2092
 Delta2 Fr= 1--      0.0335                 0.0823                 0.0078
 Raman1 Fr= 1--       6.875                  8.093                  4.953
 ROA1   Fr= 1--      11.015                 -1.277                -19.834
 CID1   Fr= 1--       1.602                 -0.158                 -4.005
 Raman2 Fr= 1--       2.920                  3.463                  2.106
 ROA2   Fr= 1--       2.217                 -1.636                 -5.083
 CID2   Fr= 1--       0.759                 -0.472                 -2.413
 Raman3 Fr= 1--       5.841                  6.926                  4.213
 ROA3   Fr= 1--      11.015                 -1.277                -19.834
 CID3   Fr= 1--       1.886                 -0.184                 -4.708
 RC180  Fr= 1--       0.699                  0.712                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.03
     2   6    -0.00  -0.01  -0.00     0.00   0.01   0.01    -0.01  -0.01  -0.01
     3   6     0.02   0.01  -0.12    -0.10   0.09  -0.00     0.08   0.08  -0.02
     4   6     0.02   0.00   0.02    -0.01  -0.00  -0.01    -0.02   0.00  -0.05
     5   6    -0.07   0.03  -0.03     0.01  -0.00   0.00     0.12  -0.05   0.05
     6   1     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.03   0.02  -0.01
     7   1     0.00   0.00  -0.01    -0.05  -0.02   0.01     0.02   0.01  -0.00
     8   1    -0.02   0.01   0.01     0.05  -0.00  -0.04    -0.03   0.00   0.02
     9   1    -0.16   0.43   0.18     0.52  -0.02  -0.33    -0.23   0.05   0.10
    10   1     0.12  -0.29  -0.09     0.36  -0.48   0.36     0.01  -0.23  -0.22
    11   1    -0.07  -0.25   0.59    -0.32  -0.04   0.01    -0.18  -0.15   0.28
    12   1     0.03  -0.09  -0.04    -0.02   0.05   0.02    -0.08   0.22   0.10
    13   1    -0.05   0.08  -0.01     0.03  -0.05  -0.00     0.08  -0.14   0.02
    14   1    -0.03  -0.00  -0.04     0.01  -0.00   0.01     0.08  -0.06   0.06
    15   1     0.22   0.14   0.14    -0.02  -0.01  -0.02    -0.38  -0.25  -0.24
    16   1    -0.03   0.01  -0.00     0.02   0.01   0.02     0.04   0.00  -0.02
    17   1     0.18  -0.25  -0.01    -0.02   0.02   0.02    -0.31   0.43   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.4280              1200.9258              1231.7213
 Red. masses --      2.5558                 3.1951                 2.5947
 Frc consts  --      1.8202                 2.7150                 2.3193
 IR Inten    --      0.8062                 3.1554                 7.7793
 RamAct Fr= 1--      1.4730                10.0417                 8.9507
  Dep-P Fr= 1--      0.0933                 0.7494                 0.7427
  Dep-U Fr= 1--      0.1708                 0.8567                 0.8523
 Alpha2 Fr= 1--      0.0262                 0.0001                 0.0011
 Beta2  Fr= 1--      0.0419                 1.4338                 1.2715
 AlphaG Fr= 1--     -0.0003                -0.0000                 0.0002
 Gamma2 Fr= 1--      0.0193                 1.2905                -1.6667
 Delta2 Fr= 1--      0.1029                 0.5899                -0.6935
 Raman1 Fr= 1--       5.892                 40.167                 35.803
 ROA1   Fr= 1--       5.148                142.767               -182.193
 CID1   Fr= 1--       0.874                  3.554                 -5.089
 Raman2 Fr= 1--       0.503                 17.206                 15.258
 ROA2   Fr= 1--      -0.359                 26.254                -34.452
 CID2   Fr= 1--      -0.713                  1.526                 -2.258
 Raman3 Fr= 1--       1.006                 34.412                 30.516
 ROA3   Fr= 1--       5.148                142.767               -182.193
 CID3   Fr= 1--       5.117                  4.149                 -5.970
 RC180  Fr= 1--      -0.658                  0.713                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01     0.26  -0.24  -0.05     0.17   0.16   0.16
     2   6     0.01   0.05   0.03    -0.09   0.08   0.07    -0.06  -0.10  -0.03
     3   6    -0.15  -0.16  -0.12    -0.05   0.04   0.01    -0.09  -0.08  -0.07
     4   6     0.06   0.04   0.00    -0.09   0.07  -0.00    -0.07  -0.05  -0.06
     5   6     0.07  -0.01   0.03    -0.03   0.01   0.07    -0.02  -0.05   0.00
     6   1    -0.00  -0.08  -0.04     0.11  -0.22  -0.17     0.14   0.31   0.12
     7   1    -0.13  -0.02  -0.02    -0.23   0.05  -0.14     0.21  -0.02   0.27
     8   1     0.17  -0.03  -0.10     0.14  -0.21   0.12    -0.15   0.23  -0.31
     9   1     0.16   0.40   0.03    -0.07  -0.05  -0.03     0.01   0.07  -0.05
    10   1     0.09   0.23   0.33    -0.07  -0.04  -0.05    -0.01   0.04   0.09
    11   1     0.41   0.05   0.16     0.14   0.12   0.09     0.10  -0.01   0.02
    12   1    -0.09  -0.05   0.02    -0.04   0.27   0.09     0.06   0.24   0.06
    13   1    -0.20   0.22   0.09     0.02  -0.03   0.00     0.20  -0.31  -0.04
    14   1     0.04  -0.19  -0.08    -0.03   0.22   0.12     0.09   0.12   0.18
    15   1    -0.21  -0.12  -0.14     0.06   0.16  -0.24     0.10   0.02  -0.01
    16   1     0.07  -0.02   0.04    -0.37   0.16  -0.30    -0.24   0.15  -0.20
    17   1    -0.15   0.19   0.08     0.13   0.00  -0.14     0.02   0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1237.0970              1320.0184              1321.8164
 Red. masses --      3.0262                 1.3547                 1.3648
 Frc consts  --      2.7287                 1.3908                 1.4049
 IR Inten    --      2.0389                 5.5233                 6.4562
 RamAct Fr= 1--      8.9345                 3.6556                 4.2272
  Dep-P Fr= 1--      0.7353                 0.7466                 0.7439
  Dep-U Fr= 1--      0.8475                 0.8549                 0.8531
 Alpha2 Fr= 1--      0.0022                 0.0002                 0.0004
 Beta2  Fr= 1--      1.2620                 0.5209                 0.6011
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.2402                -0.8457                 0.9438
 Delta2 Fr= 1--      0.1123                -0.8408                 0.8263
 Raman1 Fr= 1--      35.738                 14.622                 16.909
 ROA1   Fr= 1--      26.651               -108.098                117.045
 CID1   Fr= 1--       0.746                 -7.393                  6.922
 Raman2 Fr= 1--      15.144                  6.250                  7.213
 ROA2   Fr= 1--       4.866                -13.571                 16.041
 CID2   Fr= 1--       0.321                 -2.171                  2.224
 Raman3 Fr= 1--      30.288                 12.501                 14.425
 ROA3   Fr= 1--      26.651               -108.098                117.045
 CID3   Fr= 1--       0.880                 -8.647                  8.114
 RC180  Fr= 1--       0.695                  0.710                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.16   0.30     0.04  -0.07   0.03     0.05   0.01   0.07
     2   6    -0.01   0.02   0.01     0.03   0.03  -0.09     0.03   0.04  -0.08
     3   6     0.02   0.03  -0.04    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
     4   6     0.03   0.06  -0.11     0.00   0.01  -0.01    -0.01  -0.01  -0.02
     5   6    -0.01   0.07  -0.15    -0.02   0.07  -0.01    -0.03  -0.04  -0.06
     6   1     0.23  -0.04  -0.13    -0.14   0.15   0.05    -0.16  -0.07  -0.06
     7   1     0.10   0.18  -0.33    -0.12  -0.27   0.62    -0.03  -0.08   0.19
     8   1     0.17   0.05  -0.28    -0.03  -0.08   0.15    -0.11  -0.27   0.55
     9   1    -0.09  -0.13  -0.06    -0.02  -0.01  -0.01    -0.01  -0.00  -0.02
    10   1     0.07   0.08   0.04     0.00   0.00   0.00     0.00   0.02   0.02
    11   1    -0.01   0.02  -0.03     0.02   0.02   0.02     0.02  -0.00  -0.00
    12   1    -0.28   0.20   0.13    -0.05   0.06   0.04    -0.01   0.09   0.04
    13   1    -0.06  -0.13   0.26    -0.05   0.02   0.05     0.00  -0.04   0.02
    14   1     0.24  -0.34   0.05     0.02   0.03   0.02     0.03   0.03   0.05
    15   1    -0.00   0.00   0.16    -0.15  -0.05   0.13     0.11   0.05  -0.09
    16   1     0.09  -0.01  -0.05     0.11  -0.58  -0.09     0.19   0.49   0.38
    17   1    -0.02  -0.13   0.09     0.08   0.01  -0.08    -0.16  -0.04   0.14
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1331.8808              1338.0551              1412.0156
 Red. masses --      1.5471                 1.3400                 1.2333
 Frc consts  --      1.6170                 1.4135                 1.4488
 IR Inten    --      1.3710                 3.5397                 5.1192
 RamAct Fr= 1--      3.7177                 1.3628                 0.1513
  Dep-P Fr= 1--      0.7312                 0.7473                 0.7482
  Dep-U Fr= 1--      0.8447                 0.8554                 0.8560
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0000
 Beta2  Fr= 1--      0.5234                 0.1943                 0.0216
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.1864                 0.1629                -0.0104
 Delta2 Fr= 1--      0.0761                 0.0321                -0.0137
 Raman1 Fr= 1--      14.871                  5.451                  0.605
 ROA1   Fr= 1--      20.328                 16.663                 -1.439
 CID1   Fr= 1--       1.367                  3.057                 -2.377
 Raman2 Fr= 1--       6.281                  2.331                  0.259
 ROA2   Fr= 1--       3.865                  3.652                 -0.140
 CID2   Fr= 1--       0.615                  1.567                 -0.540
 Raman3 Fr= 1--      12.562                  4.663                  0.518
 ROA3   Fr= 1--      20.328                 16.663                 -1.439
 CID3   Fr= 1--       1.618                  3.574                 -2.777
 RC180  Fr= 1--       0.689                  0.711                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.02   0.10   0.05    -0.00   0.02   0.00
     2   6    -0.06  -0.02   0.05     0.00   0.01  -0.00    -0.00  -0.01   0.01
     3   6    -0.02  -0.01   0.01    -0.02  -0.02  -0.02     0.00   0.00   0.00
     4   6    -0.04   0.00   0.02    -0.02  -0.02  -0.01     0.06  -0.12  -0.04
     5   6    -0.05   0.04  -0.08     0.00   0.02   0.01    -0.00   0.00  -0.01
     6   1     0.13  -0.00  -0.01    -0.05  -0.26  -0.13     0.03  -0.02  -0.00
     7   1     0.03   0.10  -0.16     0.10   0.20  -0.44    -0.03   0.01  -0.11
     8   1     0.02   0.07  -0.19    -0.11  -0.25   0.52    -0.05   0.06  -0.01
     9   1    -0.00   0.01   0.01     0.01   0.02  -0.02     0.00  -0.01   0.00
    10   1    -0.04  -0.03  -0.03     0.01   0.01   0.03     0.00  -0.00  -0.01
    11   1     0.02   0.01   0.02    -0.00  -0.02  -0.01    -0.01  -0.00  -0.01
    12   1     0.13   0.02  -0.05     0.10   0.01  -0.04    -0.18   0.40   0.35
    13   1     0.07  -0.03  -0.09     0.06  -0.08  -0.03    -0.44   0.35   0.04
    14   1    -0.01   0.04   0.06     0.05  -0.02   0.07    -0.09   0.56   0.01
    15   1    -0.12  -0.05   0.10    -0.09  -0.06   0.13    -0.01  -0.00   0.02
    16   1     0.59  -0.30   0.57    -0.04  -0.43  -0.19     0.03  -0.03   0.02
    17   1    -0.14  -0.03   0.12     0.08   0.05  -0.13    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.4030              1498.5711              1500.9194
 Red. masses --      1.0747                 1.0540                 1.0583
 Frc consts  --      1.3747                 1.3946                 1.4047
 IR Inten    --      2.8805                 4.9302                 6.8482
 RamAct Fr= 1--      5.4981                 4.6767                 2.8950
  Dep-P Fr= 1--      0.7443                 0.7500                 0.7482
  Dep-U Fr= 1--      0.8534                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0001
 Beta2  Fr= 1--      0.7820                 0.6681                 0.4130
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0690                -0.1039                 0.0218
 Delta2 Fr= 1--     -0.0499                -0.0039                 0.0491
 Raman1 Fr= 1--      21.992                 18.707                 11.580
 ROA1   Fr= 1--      -8.221                -10.096                  3.662
 CID1   Fr= 1--      -0.374                 -0.540                  0.316
 Raman2 Fr= 1--       9.384                  8.017                  4.956
 ROA2   Fr= 1--      -1.256                 -2.461                  0.129
 CID2   Fr= 1--      -0.134                 -0.307                  0.026
 Raman3 Fr= 1--      18.769                 16.034                  9.912
 ROA3   Fr= 1--      -8.221                -10.096                  3.662
 CID3   Fr= 1--      -0.438                 -0.630                  0.369
 RC180  Fr= 1--       0.707                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01    -0.03  -0.02   0.01    -0.02   0.00  -0.04
     2   6    -0.07   0.01  -0.00     0.01   0.00  -0.00    -0.02   0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.02    -0.04  -0.03   0.01    -0.02   0.00  -0.05
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
     6   1    -0.07   0.01  -0.00    -0.00   0.01   0.00    -0.03   0.01   0.01
     7   1     0.55   0.27   0.24    -0.02  -0.02   0.03     0.19   0.09   0.09
     8   1     0.46  -0.46  -0.10     0.00   0.02  -0.02     0.16  -0.15  -0.06
     9   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1     0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.07   0.10   0.11     0.58   0.40  -0.03     0.22  -0.20  -0.24
    13   1     0.07   0.06  -0.18    -0.13   0.37  -0.37    -0.32  -0.05   0.47
    14   1    -0.14  -0.03  -0.17     0.22  -0.34   0.20     0.36   0.21   0.49
    15   1     0.00  -0.00   0.01     0.01   0.01  -0.00     0.00   0.00  -0.01
    16   1    -0.01  -0.00  -0.01    -0.03   0.03  -0.03    -0.00   0.01   0.01
    17   1     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9753              2206.9434              2244.9986
 Red. masses --      2.1312                 2.1899                 2.2674
 Frc consts  --      5.9128                 6.2842                 6.7329
 IR Inten    --     15.1277                14.2572                14.3438
 RamAct Fr= 1--     70.8438                76.5994                58.9636
  Dep-P Fr= 1--      0.0019                 0.0606                 0.1792
  Dep-U Fr= 1--      0.0039                 0.1143                 0.3040
 Alpha2 Fr= 1--      1.5672                 1.4752                 0.8456
 Beta2  Fr= 1--      0.0458                 1.4595                 2.9872
 AlphaG Fr= 1--      0.0028                 0.0006                 0.0005
 Gamma2 Fr= 1--      0.0496                -0.0614                -0.0955
 Delta2 Fr= 1--      0.0510                -0.0544                -0.0964
 Raman1 Fr= 1--     283.375                306.398                235.854
 ROA1   Fr= 1--       6.396                 -7.635                -12.250
 CID1   Fr= 1--       0.023                 -0.025                 -0.052
 Raman2 Fr= 1--       0.550                 17.514                 35.847
 ROA2   Fr= 1--       0.783                 -1.039                 -1.520
 CID2   Fr= 1--       1.424                 -0.059                 -0.042
 Raman3 Fr= 1--       1.100                 35.027                 71.694
 ROA3   Fr= 1--       6.396                 -7.635                -12.250
 CID3   Fr= 1--       5.814                 -0.218                 -0.171
 RC180  Fr= 1--      -0.992                 -0.771                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.05   0.07  -0.14
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00     0.00  -0.01   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04     0.00  -0.00   0.00
     6   1    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.34  -0.43   0.81
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.04   0.07   0.01
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.04  -0.04
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.00   0.01  -0.01
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01    -0.01   0.02   0.01
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17    -0.01   0.01   0.00
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07    -0.00  -0.00   0.00
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.01  -0.01  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1989              2284.5344              2285.8662
 Red. masses --      2.3739                 2.3767                 2.3788
 Frc consts  --      7.2911                 7.3082                 7.3234
 IR Inten    --      7.7808                16.5072                24.7961
 RamAct Fr= 1--     18.2598                37.9370                57.0585
  Dep-P Fr= 1--      0.7491                 0.7489                 0.7497
  Dep-U Fr= 1--      0.8566                 0.8564                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0003
 Beta2  Fr= 1--      2.6068                 5.4152                 8.1494
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -1.6217                 0.3761                 1.4508
 Delta2 Fr= 1--     -1.5240                 0.3335                 1.3721
 Raman1 Fr= 1--      73.039                151.748                228.234
 ROA1   Fr= 1--    -204.451                 46.780                183.187
 CID1   Fr= 1--      -2.799                  0.308                  0.803
 Raman2 Fr= 1--      31.282                 64.982                 97.792
 ROA2   Fr= 1--     -26.729                  6.359                 23.843
 CID2   Fr= 1--      -0.854                  0.098                  0.244
 Raman3 Fr= 1--      62.564                129.964                195.584
 ROA3   Fr= 1--    -204.451                 46.780                183.187
 CID3   Fr= 1--      -3.268                  0.360                  0.937
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.07  -0.11   0.04
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01   0.12   0.06    -0.00   0.00   0.00    -0.02  -0.12  -0.06
     6   1    -0.01   0.01  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1    -0.17   0.19  -0.38    -0.18   0.20  -0.39    -0.17   0.20  -0.38
    10   1    -0.05  -0.02   0.04     0.61   0.18  -0.49    -0.03  -0.01   0.03
    11   1    -0.24   0.45   0.14     0.15  -0.28  -0.08    -0.23   0.43   0.13
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.02  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23    -0.00  -0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2159              3044.1268              3064.1894
 Red. masses --      1.0345                 1.0601                 1.0831
 Frc consts  --      5.5633                 5.7880                 5.9916
 IR Inten    --     32.2051                28.2550                25.3700
 RamAct Fr= 1--    140.0248               152.8501               102.0463
  Dep-P Fr= 1--      0.0009                 0.0727                 0.1925
  Dep-U Fr= 1--      0.0019                 0.1355                 0.3228
 Alpha2 Fr= 1--      3.1049                 2.8598                 1.4137
 Beta2  Fr= 1--      0.0437                 3.4513                 5.4899
 AlphaG Fr= 1--      0.0003                -0.0030                -0.0018
 Gamma2 Fr= 1--      0.0828                 0.4113                -0.5280
 Delta2 Fr= 1--      0.0762                 0.3298                -0.4904
 Raman1 Fr= 1--     560.099                611.401                408.185
 ROA1   Fr= 1--      10.387                 50.034                -66.381
 CID1   Fr= 1--       0.019                  0.082                 -0.163
 Raman2 Fr= 1--       0.524                 41.416                 65.879
 ROA2   Fr= 1--       1.377                  7.232                 -8.749
 CID2   Fr= 1--       2.628                  0.175                 -0.133
 Raman3 Fr= 1--       1.048                 82.832                131.758
 ROA3   Fr= 1--      10.387                 50.034                -66.381
 CID3   Fr= 1--       9.910                  0.604                 -0.504
 RC180  Fr= 1--      -0.996                 -0.729                 -0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01   0.00  -0.00     0.07  -0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00  -0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.02   0.05
     6   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00  -0.00   0.00
     7   1     0.03  -0.05  -0.02    -0.33   0.59   0.19    -0.01   0.02   0.01
     8   1     0.04   0.04   0.03    -0.45  -0.44  -0.31    -0.01  -0.01  -0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.03  -0.04   0.07     0.02  -0.02   0.04
    13   1    -0.37  -0.35  -0.26    -0.02  -0.02  -0.01    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.05  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.03  -0.01   0.02     0.74   0.22  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7513              3083.7225              3085.3043
 Red. masses --      1.1023                 1.1016                 1.1013
 Frc consts  --      6.1682                 6.1718                 6.1767
 IR Inten    --     16.1995                38.3851                55.1360
 RamAct Fr= 1--     35.3542                74.0806               109.1533
  Dep-P Fr= 1--      0.7462                 0.7378                 0.7495
  Dep-U Fr= 1--      0.8547                 0.8491                 0.8568
 Alpha2 Fr= 1--      0.0023                 0.0154                 0.0009
 Beta2  Fr= 1--      5.0360                10.4841                15.5875
 AlphaG Fr= 1--      0.0001                 0.0004                -0.0001
 Gamma2 Fr= 1--    -10.6283                 2.3691                 8.1605
 Delta2 Fr= 1--     -9.8959                 2.1629                 7.7009
 Raman1 Fr= 1--     141.417                296.322                436.613
 ROA1   Fr= 1--   -1336.984                296.648               1029.840
 CID1   Fr= 1--      -9.454                  1.001                  2.359
 Raman2 Fr= 1--      60.432                125.809                187.050
 ROA2   Fr= 1--    -175.911                 39.556                134.245
 CID2   Fr= 1--      -2.911                  0.314                  0.718
 Raman3 Fr= 1--     120.864                251.618                374.100
 ROA3   Fr= 1--   -1336.984                296.648               1029.840
 CID3   Fr= 1--     -11.062                  1.179                  2.753
 RC180  Fr= 1--       0.709                  0.698                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.00    -0.01  -0.05  -0.03
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.05   0.02   0.02     0.01   0.03  -0.09    -0.06  -0.03  -0.01
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   1    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
     7   1    -0.26   0.44   0.14    -0.02   0.04   0.01    -0.22   0.38   0.12
     8   1     0.34   0.31   0.23     0.06   0.05   0.04     0.32   0.29   0.21
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.08   0.12  -0.20     0.28  -0.34   0.61     0.05  -0.08   0.13
    13   1    -0.34  -0.34  -0.25     0.09   0.10   0.04     0.37   0.37   0.27
    14   1    -0.22  -0.06   0.20    -0.48  -0.12   0.38     0.31   0.08  -0.27
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.04  -0.01   0.04    -0.05  -0.02   0.05     0.04   0.01  -0.04
    17   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   2.01410
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   452.72763 472.96466 492.88718
           X            0.64202   0.28349   0.71235
           Y            0.18336   0.84539  -0.50169
           Z            0.74444  -0.45271  -0.49078
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19132     0.18313     0.17573
 Rotational constants (GHZ):           3.98637     3.81581     3.66157
 Zero-point vibrational energy     366684.8 (Joules/Mol)
                                   87.63977 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.92   297.18   331.37   381.15   434.62
          (Kelvin)            435.51   538.40   549.20   561.70   977.32
                             1083.01  1104.57  1159.21  1190.33  1256.80
                             1324.84  1431.04  1449.52  1548.83  1551.67
                             1560.17  1581.83  1727.86  1772.17  1779.91
                             1899.21  1901.80  1916.28  1925.16  2031.58
                             2119.90  2156.11  2159.49  3122.11  3175.30
                             3230.05  3285.01  3286.94  3288.85  4346.86
                             4379.82  4408.69  4433.95  4436.79  4439.06
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.664             23.079             16.216
 Vibration     1          0.622              1.889              2.528
 Vibration     2          0.641              1.831              2.074
 Vibration     3          0.652              1.795              1.877
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.694              1.670              1.405
 Vibration     6          0.694              1.669              1.402
 Vibration     7          0.745              1.525              1.062
 Vibration     8          0.751              1.509              1.032
 Vibration     9          0.758              1.491              0.999
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385615D-50        -50.413846       -116.082170
 Total V=0       0.670736D+14         13.826552         31.836812
 Vib (Bot)       0.122154D-62        -62.913092       -144.862747
 Vib (Bot)    1  0.124809D+01          0.096247          0.221617
 Vib (Bot)    2  0.962919D+00         -0.016410         -0.037786
 Vib (Bot)    3  0.855064D+00         -0.068002         -0.156579
 Vib (Bot)    4  0.731403D+00         -0.135844         -0.312791
 Vib (Bot)    5  0.628822D+00         -0.201472         -0.463907
 Vib (Bot)    6  0.627328D+00         -0.202505         -0.466285
 Vib (Bot)    7  0.485112D+00         -0.314158         -0.723375
 Vib (Bot)    8  0.473098D+00         -0.325049         -0.748452
 Vib (Bot)    9  0.459727D+00         -0.337500         -0.777124
 Vib (V=0)       0.212474D+02          1.327306          3.056234
 Vib (V=0)    1  0.184452D+01          0.265884          0.612220
 Vib (V=0)    2  0.158499D+01          0.200028          0.460581
 Vib (V=0)    3  0.149052D+01          0.173338          0.399126
 Vib (V=0)    4  0.138597D+01          0.141755          0.326403
 Vib (V=0)    5  0.130338D+01          0.115071          0.264960
 Vib (V=0)    6  0.130221D+01          0.114681          0.264063
 Vib (V=0)    7  0.119666D+01          0.077970          0.179533
 Vib (V=0)    8  0.118835D+01          0.074943          0.172564
 Vib (V=0)    9  0.117923D+01          0.071597          0.164859
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116293D+06          5.065552         11.663865
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111  1                                         
   000000                            2222 21                          544 43333  222 0000  09  9 888 77  6         333  3 222 1      
   888642                            8884 07                          097 13322  330 9877  09  2 720 65  7         987  0 630 6      
   542441                            6535 70                          193 28220  721 9486  75  1 476 83  9         024  2 507 2      
 
   XXXXXX                            XXXX XX                          XXX XXXXX  XXX XXXX  XX  X XXX XX            X                 
   XXXXXX                            XXXX XX                          XX  X  XX   X   X                                              
   XXXXXX                            XXXX XX                                      X                                                  
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX                                                                                              
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
      5   0.649699D+01  0.249789D+01 -0.120420D+01  0.549639D+01  0.760254D+01
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                21            22            23            24            25 
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                26            27            28            29            30 
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                36            37            38            39            40 
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                56            57            58            59            60 
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                76            77            78            79            80 
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                81            82            83            84            85 
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                86            87            88            89            90 
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                96            97            98            99           100 
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               101           102           103           104           105 
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               106           107           108           109           110 
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               111           112           113           114           115 
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               116           117           118           119           120 
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               121           122           123           124           125 
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               126           127           128           129           130 
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               136           137           138           139           140 
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      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
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      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
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      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01
 Leave Link  716 at Thu Jan 27 18:48:57 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
      5   0.649699D+01  0.249789D+01 -0.120420D+01  0.549639D+01  0.760254D+01
      6   0.756015D+01 -0.761595D+01  0.856981D+01  0.684759D+01  0.116173D+02
                21            22            23            24            25 
      1   0.571695D+01 -0.972040D+01  0.149449D+02  0.990688D+01  0.659415D+01
      2   0.953688D+01  0.540941D+01 -0.153542D+02 -0.119740D+02  0.848561D+01
      3  -0.152538D+02  0.431099D+01  0.409285D+00  0.206712D+01 -0.150798D+02
      4   0.115897D+02  0.259488D+01  0.364037D+01  0.511122D+01  0.127195D+02
      5  -0.665139D+01  0.797896D+01  0.433324D+01  0.873945D+01 -0.796326D+01
      6   0.108899D+00  0.103796D+02 -0.812349D+01 -0.185578D+01  0.548178D-01
                26            27            28            29            30 
      1   0.107210D+02 -0.572823D+01 -0.335326D+01  0.753911D+01  0.117357D+02
      2  -0.119699D+02  0.123067D+02  0.515822D+01 -0.973739D+01 -0.180733D+02
      3   0.124898D+01 -0.657845D+01 -0.180496D+01  0.219828D+01  0.633761D+01
      4   0.533251D+01  0.523381D+00  0.238203D+01 -0.109824D+01 -0.237082D+01
      5   0.721835D+01 -0.983423D+01  0.708425D+01  0.307980D+01 -0.113790D+02
      6  -0.109305D+01  0.115967D+01 -0.586468D+01 -0.142833D+02  0.480032D+01
                31            32            33            34            35 
      1   0.737364D+01  0.601206D+01  0.643470D+01  0.121672D+02  0.523680D+01
      2  -0.903489D+01 -0.297310D+01 -0.636752D+00 -0.177843D+02 -0.298154D+00
      3   0.166125D+01 -0.303896D+01 -0.579795D+01  0.561708D+01 -0.493865D+01
      4  -0.131397D+00 -0.110690D+02 -0.121481D+02 -0.152309D+01 -0.131087D+02
      5   0.505989D+01 -0.722053D+01  0.851605D+00 -0.115330D+02  0.252973D+01
      6  -0.131142D+02  0.212194D+01 -0.951025D+01  0.559191D+01 -0.105196D+02
                36            37            38            39            40 
      1  -0.219505D+01  0.301867D+01  0.179791D+01 -0.108939D+02  0.198260D+01
      2  -0.289790D+01  0.435314D+01  0.149329D+02  0.271849D+01  0.146089D+02
      3   0.509295D+01 -0.737181D+01 -0.167308D+02  0.817538D+01 -0.165915D+02
      4   0.879932D+01 -0.146818D+01 -0.839988D+01 -0.247193D-01 -0.900401D+01
      5   0.189953D+00 -0.237976D+01 -0.293451D+01 -0.111469D+02 -0.409268D+01
      6   0.305006D+01  0.184046D+01 -0.395695D+01 -0.144499D+02 -0.453226D+01
                41            42            43            44            45 
      1  -0.333808D+01 -0.258826D+01 -0.115903D+02 -0.184309D+01  0.541044D+00
      2  -0.772822D+01  0.425992D+01  0.429450D+01  0.327452D+01  0.383361D+01
      3   0.110663D+02 -0.167167D+01  0.729584D+01 -0.143142D+01 -0.437465D+01
      4   0.101143D+02  0.314441D+01 -0.639072D+00  0.528171D+01 -0.855402D+01
      5  -0.658166D+01 -0.132032D+02 -0.959432D+01 -0.122894D+02  0.829081D+01
      6   0.350988D+01  0.753496D+00 -0.133804D+02  0.962984D+00 -0.509173D+01
                46            47            48            49            50 
      1  -0.181812D+01  0.342748D+01 -0.592516D+01  0.286026D+01 -0.634858D+01
      2  -0.560531D+00 -0.982620D+00 -0.150702D+01 -0.821086D+00  0.245403D+01
      3   0.237865D+01 -0.244486D+01  0.743218D+01 -0.203918D+01  0.389455D+01
      4  -0.748985D+00  0.241596D+01 -0.223941D+00  0.379509D+01  0.239650D+01
      5   0.296652D+01 -0.809510D+00  0.319889D+01 -0.162852D+01 -0.294953D+01
      6  -0.213678D+01  0.292367D+01 -0.398796D+01  0.205293D+00 -0.921322D+01
                51            52            53            54            55 
      1   0.996085D+01 -0.433142D+01  0.973447D+01 -0.211308D+02  0.136441D+02
      2   0.814870D-01  0.114699D+01 -0.279522D+00 -0.107177D+02 -0.776981D+01
      3  -0.100423D+02  0.318443D+01 -0.945495D+01  0.318485D+02 -0.587433D+01
      4  -0.301982D+01 -0.656075D+00 -0.340525D+01  0.389137D+01 -0.862630D+01
      5   0.369911D+01  0.556468D+01  0.318812D+01 -0.946022D+01 -0.102154D+02
      6   0.122188D+02 -0.138249D+01  0.120824D+02 -0.163191D+02  0.518537D+01
                56            57            58            59            60 
      1  -0.621091D+01 -0.319414D+01 -0.891142D+01  0.328445D+01  0.160803D+01
      2   0.481006D+01  0.401950D+01  0.602163D+01  0.668003D+00 -0.398798D+01
      3   0.140085D+01 -0.825362D+00  0.288979D+01 -0.395246D+01  0.237995D+01
      4   0.110041D+02  0.433703D+01  0.126457D+02 -0.162132D+02 -0.522955D+01
      5   0.713563D+01  0.732844D+01  0.103428D+02 -0.807265D+01 -0.889878D+01
      6  -0.560592D+01 -0.379884D+01 -0.665341D+01  0.125001D+02  0.774866D+01
                61            62            63            64            65 
      1  -0.206733D+01  0.189410D+01 -0.113317D+01  0.235553D+02  0.964213D+01
      2   0.374531D+01 -0.301601D+01 -0.391897D+01 -0.643046D+01  0.105028D+01
      3  -0.167798D+01  0.112191D+01  0.505214D+01 -0.171249D+02 -0.106924D+02
      4   0.398149D+01 -0.381738D+01 -0.376538D+01  0.159189D+02  0.140946D+02
      5   0.706592D+01 -0.575892D+01 -0.700664D+01 -0.189961D+01 -0.989456D-01
      6  -0.399992D+01  0.675929D+01  0.336172D+01 -0.173589D+01 -0.284720D+01
                66            67            68            69            70 
      1   0.418514D+01  0.109212D+02  0.546203D+01  0.318405D+01  0.803225D+01
      2  -0.181207D+00  0.807337D+00  0.606280D+01  0.177623D+01 -0.198613D+01
      3  -0.400394D+01 -0.117286D+02 -0.115248D+02 -0.496029D+01 -0.604613D+01
      4   0.349746D+01  0.155112D+02  0.146238D+02  0.235799D+01  0.613601D+01
      5   0.469687D+01 -0.766825D+00 -0.111685D+01  0.369081D+01  0.362476D+01
      6   0.380275D+00 -0.280049D+01 -0.203742D+01  0.342060D+01  0.559814D+00
                71            72            73            74            75 
      1   0.335001D+01  0.152233D+01  0.765232D+01 -0.546459D+00  0.352789D+01
      2   0.223915D+01 -0.172492D+00 -0.857417D+01  0.167149D+01 -0.934471D+01
      3  -0.558916D+01 -0.134984D+01  0.921848D+00 -0.112503D+01  0.581682D+01
      4   0.529861D+01  0.387743D+01  0.147279D+01  0.301131D+01 -0.556873D+00
      5   0.271068D+01  0.456261D+01  0.104791D+02 -0.286811D+01  0.133753D+02
      6   0.240981D+01  0.111616D+01  0.456831D+00  0.250669D+00  0.217953D+01
                76            77            78            79            80 
      1  -0.245110D+01 -0.157138D+01 -0.546460D+00  0.386487D+01 -0.177076D+01
      2   0.336728D+01 -0.974929D+00  0.719120D+01 -0.104547D+02  0.594894D+01
      3  -0.916180D+00  0.254630D+01 -0.664474D+01  0.658988D+01 -0.417818D+01
      4   0.220856D+01 -0.368812D+01  0.284363D+01  0.192697D+00  0.381703D+01
      5  -0.565997D+01  0.339104D+01 -0.677246D+01  0.150156D+02 -0.337931D+01
      6   0.518981D+00 -0.244190D+01  0.358387D+01  0.232010D+01  0.497637D+01
                81            82            83            84            85 
      1  -0.318830D+01  0.269312D+02  0.607223D+01 -0.817550D+01  0.462983D+01
      2  -0.198077D+02 -0.822984D+01  0.127405D+01  0.737676D+00  0.166413D+01
      3   0.229960D+02 -0.187014D+02 -0.734628D+01  0.743783D+01 -0.629395D+01
      4  -0.405302D-01  0.179153D+02  0.110254D+02 -0.609719D+01  0.961362D+01
      5   0.218608D+02 -0.426074D+01 -0.152001D+01  0.764377D+01 -0.137565D+01
      6   0.453546D+01 -0.410488D+01 -0.219741D+01  0.466421D+01 -0.254930D+01
                86            87            88            89            90 
      1   0.997551D+00 -0.200184D+01 -0.117290D+02 -0.214631D+01  0.527750D+01
      2   0.448160D+01 -0.205876D+00  0.244316D+01 -0.161583D+01 -0.328440D+01
      3  -0.547916D+01  0.220772D+01  0.928585D+01  0.376214D+01 -0.199310D+01
      4   0.689882D+01 -0.412999D+01 -0.934426D+01 -0.704023D+01  0.483567D+01
      5  -0.186916D+01  0.566234D+00  0.757558D+01  0.151711D+01 -0.695177D+01
      6  -0.424361D+00  0.325159D+01  0.450399D+01  0.322704D+01 -0.594334D+01
                91            92            93            94            95 
      1  -0.208768D+01  0.841822D+01  0.243568D+01  0.657230D+01 -0.231510D+02
      2   0.406947D+01 -0.103849D+02 -0.204714D+01 -0.611640D+01  0.337453D+02
      3  -0.198180D+01  0.196667D+01 -0.388543D+00 -0.455904D+00 -0.105943D+02
      4  -0.388307D+01  0.427430D+01  0.224320D+00  0.570378D+01  0.435377D+01
      5  -0.315471D+01  0.184934D+01  0.218593D+01  0.238896D+01 -0.354618D+00
      6   0.242705D+01 -0.624858D+01 -0.449753D+01 -0.328135D+01  0.183924D+02
                96            97            98            99           100 
      1  -0.830312D+01  0.118609D+01 -0.764527D+01 -0.511229D+01  0.475656D+01
      2   0.744036D+01 -0.176024D+01  0.655032D+01  0.224070D+01  0.418466D+00
      3   0.862766D+00  0.574151D+00  0.109494D+01  0.287159D+01 -0.517502D+01
      4   0.113283D+01 -0.791882D-02  0.102606D+01  0.424257D+00 -0.911044D+01
      5   0.327695D+00  0.303148D+01 -0.199584D+00  0.147956D+01  0.368584D+01
      6   0.114068D+02 -0.187882D+01  0.105651D+02  0.703256D+01 -0.381759D+01
               101           102           103           104           105 
      1  -0.173009D+01  0.109574D+01 -0.109202D+01 -0.571342D+01  0.164533D+01
      2  -0.327666D+01  0.272770D+01 -0.363074D+01  0.141302D+02 -0.672898D+01
      3   0.500675D+01 -0.382344D+01  0.472276D+01 -0.841676D+01  0.508364D+01
      4   0.897020D+01 -0.566082D+01  0.810704D+01 -0.942047D+01  0.713654D+01
      5  -0.325661D+01  0.699994D+01 -0.285067D+01  0.442220D+01 -0.378625D+01
      6   0.496466D+01 -0.559708D+01  0.490188D+01 -0.830627D+01  0.101115D+02
               106           107           108           109           110 
      1   0.210933D+01  0.364123D+01 -0.263254D+01 -0.278166D+01 -0.878102D+01
      2   0.260542D+01 -0.102863D+02  0.306303D+01  0.444311D+01  0.130744D+02
      3  -0.471475D+01  0.664506D+01 -0.430489D+00 -0.166145D+01 -0.429341D+01
      4  -0.865688D+01  0.102789D+02 -0.810698D+01  0.938376D+01  0.764522D+01
      5   0.747518D+01 -0.503861D+01  0.962723D+01  0.307915D+01  0.187216D+01
      6  -0.630483D+01  0.118268D+02 -0.160724D+02  0.559970D+01  0.841322D+01
               111           112           113           114           115 
      1  -0.560410D+01 -0.651127D+01 -0.166785D+02 -0.823855D+01 -0.475549D+01
      2   0.424013D+01  0.843293D+01  0.250638D+02  0.796981D+01  0.382751D+01
      3   0.136397D+01 -0.192166D+01 -0.838522D+01  0.268736D+00  0.927986D+00
      4   0.409465D+01  0.727659D+01  0.539826D+01  0.308106D+01  0.421099D+01
      5   0.383397D+01  0.124667D+01  0.160867D+01  0.220606D+00  0.419075D+01
      6   0.663156D+01  0.578643D+01  0.135530D+02  0.112167D+02  0.378256D+01
               116           117           118           119           120 
      1  -0.889076D+01 -0.744042D+01  0.192371D+02  0.396237D+00 -0.763979D+01
      2   0.872729D+01  0.428946D+01 -0.140181D+02 -0.249729D+01  0.101804D+02
      3   0.163472D+00  0.315096D+01 -0.521901D+01  0.210105D+01 -0.254057D+01
      4   0.289646D+01  0.153257D+01 -0.121692D+02  0.643942D+01  0.652324D+01
      5   0.406920D+00  0.124287D+01 -0.163660D+02  0.994652D+00  0.138532D+02
      6   0.123332D+02  0.102341D+02  0.699950D+01 -0.177497D+01 -0.686576D+01
               121           122           123           124           125 
      1   0.271710D+01  0.850404D+00 -0.141360D+01 -0.830156D+01 -0.172078D+01
      2  -0.315265D+01 -0.770217D+00  0.314173D+01  0.104226D+02  0.293591D+01
      3   0.435555D+00 -0.801870D-01 -0.172813D+01 -0.212104D+01 -0.121513D+01
      4   0.367755D+01  0.729330D+00 -0.132635D+01  0.730155D+01 -0.268350D+01
      5  -0.179760D+01 -0.218133D+01  0.150170D+01  0.141044D+02 -0.139934D+01
      6  -0.855270D+00  0.116700D+00  0.305697D+01 -0.649745D+01  0.520721D+01
               126           127           128           129           130 
      1   0.210805D+01  0.508608D+01 -0.212322D+01 -0.257109D+00 -0.243452D+01
      2  -0.911717D+01  0.181391D+01 -0.760781D+01 -0.114025D+01 -0.755327D+01
      3   0.700912D+01 -0.689999D+01  0.973103D+01  0.139735D+01  0.998779D+01
      4  -0.634282D+01 -0.108304D+02  0.131267D+02 -0.508295D+00  0.135922D+02
      5  -0.135287D+02  0.490978D+01 -0.396985D+01  0.453345D+01 -0.463280D+01
      6   0.730054D+01 -0.439706D+01  0.643090D+01 -0.135220D+01  0.623889D+01
               131           132           133           134           135 
      1  -0.627036D+01  0.266665D+01 -0.102993D+01  0.570294D+00 -0.661860D+00
      2   0.240597D+02  0.124961D+01 -0.104262D+01  0.393882D+01  0.164432D+01
      3  -0.177893D+02 -0.391626D+01  0.207255D+01 -0.450911D+01 -0.982464D+00
      4  -0.185591D+02  0.519439D+00  0.210623D+01 -0.243228D+01 -0.188797D+01
      5   0.592107D+01 -0.215000D+01  0.270231D+01 -0.106970D+01 -0.107958D+01
      6  -0.136829D+02  0.630226D+01 -0.590795D+00  0.345376D+01  0.734269D+00
               136           137           138           139           140 
      1  -0.238115D+01 -0.362247D+01  0.919547D+01 -0.265085D+01 -0.384530D+01
      2  -0.430999D+01  0.404906D+00  0.542048D+01 -0.357407D+00  0.242423D+01
      3   0.669114D+01  0.321756D+01 -0.146160D+02  0.300826D+01  0.142107D+01
      4   0.658150D+01  0.455666D+01 -0.409557D+01  0.448710D+01  0.935896D+00
      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
      1   0.497012D+01  0.728131D+01  0.524432D+01 -0.147348D+02  0.103135D+02
      2  -0.106849D+01  0.286862D+01 -0.472085D+00 -0.990023D+01 -0.127579D+02
      3  -0.390163D+01 -0.101499D+02 -0.477224D+01  0.246351D+02  0.244443D+01
      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
      5   0.322238D+01  0.103582D+02  0.335701D+01 -0.919743D+01  0.168821D+02
      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674778D+02      0.999918D+01      0.111256D+02
   yx        -0.714449D-02     -0.105870D-02     -0.117797D-02
   yy         0.674823D+02      0.999984D+01      0.111263D+02
   zx        -0.253920D-01     -0.376270D-02     -0.418657D-02
   zy        -0.263301D-01     -0.390172D-02     -0.434125D-02
   zz         0.674886D+02      0.100008D+02      0.111274D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199257         -1.77261301          2.27711133
     6         -2.54545341          1.37771088          0.13617656
     6          0.13192764         -1.54554824         -2.44740813
     6          2.15152906          1.94045126          0.03412950
     1         -1.25041337         -3.17768896          2.29985290
     1          0.17452134         -0.71848892          4.05005431
     1          2.06294509         -2.78069271          2.22733031
     1         -4.11526103          0.03703416          0.11598667
     1         -2.78261754          2.65548458         -1.46793637
     1         -2.69011409          2.49703054          1.86485562
     1         -1.38323258         -2.94587515         -2.52154316
     1          1.93017178         -2.54907314         -2.59353789
     1         -0.04999618         -0.32654109         -4.10361463
     1          2.10266958          3.07012065          1.76144194
     1          2.01060414          3.23088337         -1.57120859
     1          3.99110568          1.00827614         -0.06164619

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674497D+02      0.999501D+01      0.111209D+02
   yx         0.177877D-01      0.263587D-02      0.293280D-02
   yy         0.675054D+02      0.100033D+02      0.111301D+02
   zx         0.335871D-02      0.497710D-03      0.553777D-03
   zy        -0.150926D-01     -0.223649D-02     -0.248843D-02
   zz         0.674936D+02      0.100015D+02      0.111282D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-06\Freq\RM11\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P M11/G
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 WE SHOULD BE CAREFUL TO GET OUT OF AN EXPERIENCE ONLY THE WISDOM
 THAT IS IN IT -- AND STOP THERE;
 LEST WE BE LIKE THE CAT THAT SITS DOWN ON A HOT STOVE-LID.
 SHE WILL NEVER SIT DOWN ON A HOT STOVE LID AGAIN;
 BUT ALSO SHE WILL NEVER SIT DOWN ON A COLD ONE ANY MORE.

                                                     -- MARK TWAIN
 Job cpu time:       0 days  2 hours  6 minutes 59.1 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 54.2 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 18:48:57 2022.
